| chemicalCompound:16485 | rdf:type | chembl:ChemicalCompound | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Cafcit_OTHER | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Caffeine_BAN | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Caffeine_FDA_... | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Caffeine_JAN | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Caffeine_USAN | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Caffeine_USP | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Coffeine_OTHE... | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Methyltheobro... | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:synonym | synonym:16485_Theine_OTHER | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:standardIn... | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:standardIn... | RYYVLZVUVIJVGH-UHFFFAOYSA-N | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:canonicalS... | CN1C(=O)N(C)c2ncn(C)c2C1=O | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:molecularF... | C8H10N4O2 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:moleculeId | 16485 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:mwFreebase | 194.191 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:alogp | -0.1 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:hba | 3 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:hbd | 0 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:psa | 58.44 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:rtb | 0 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:ro3Pass | Y | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:numRo5viol... | 0 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:medChemFri... | Y | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:acdLogP | -0.628 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:acdLogD | -0.628 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:molecularS... | molecularSpecies:NEUTRAL | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:fullMwt | 194.191 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:acdMostBpk... | 0.523 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:chemblId | CHEMBL113 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:maxPhase | 4 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:therapeuti... | 1 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:dosedIngre... | Yes | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:structureT... | structureType:MOL | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:chebi | https://linkedlifedata.com/... | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:moleculeTy... | moleculeType:Small molecule | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:oral | Yes | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:parenteral | Yes | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:topical | Yes | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:blackBoxWa... | No | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:naturalPro... | Yes | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:proDrug | No | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:prefName | CAFFEINE | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:chebiParen... | https://linkedlifedata.com/... | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:firstAppro... | 1999 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:49891 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:49892 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:49893 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:71365 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:119700 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:119701 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:119702 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:119703 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:119704 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:144348 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177278 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177279 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177280 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177281 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177282 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177283 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177284 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177285 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177286 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177287 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177288 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177289 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177290 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177291 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177292 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177293 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177294 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177295 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177296 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177297 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:177298 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:189031 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:189032 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:189033 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:189034 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:189035 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:231261 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:231262 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:231263 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:267787 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:328436 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:328437 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:328438 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:328439 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:328440 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:328441 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331343 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331344 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331345 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331346 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331347 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331348 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331349 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331350 | lld:chembl |
| chemicalCompound:16485 | chemicalCompound:activity | activity:331351 | lld:chembl |
