83423

Source:http://linkedlifedata.com/resource/chembl/compound/83423

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C10H16N5O4P/c1-2-19-20(16,17)7-18-4-3-15-6-14-8-9(11)12-5-13-10(8)15/h5-6H,2-4,7H2,1H3,(H,16,17)(H2,11,12,13)
chemicalCompound:standardIn...	MRBIAWVMKIZTRX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOP(=O)(O)COCCn1cnc2c(N)ncnc12
chemicalCompound:molecularF...	C10 H16 N5 O4 P
chemicalCompound:moleculeId	83423
chemicalCompound:mwFreebase	301.239
chemicalCompound:alogp	-0.761
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	135.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.557
chemicalCompound:acdLogP	-0.092
chemicalCompound:acdLogD	-3.568
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	301.239
chemicalCompound:acdMostBpk...	4.22
chemicalCompound:chemblId	CHEMBL54812
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:183423
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:529713, activity:529714, activity:529715, activity:529716, activity:529717, activity:529718, activity:529719, activity:529720, activity:529721, activity:529722, activity:529723, activity:529724, activity:529725, activity:529726, activity:529727, activity:529728, activity:529729, activity:529730, activity:884270, activity:884271