420125

Source:http://linkedlifedata.com/resource/chembl/compound/420125

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:420125_CONTIGOSIDE B_TRADE_NAME, synonym:420125_NSC-407304_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
chemicalCompound:standardIn...	OVSQVDMCBVZWGM-QSOFNFLRSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O
chemicalCompound:molecularF...	C21H20O12
chemicalCompound:moleculeId	420125
chemicalCompound:mwFreebase	464.376
chemicalCompound:alogp	-0.3
chemicalCompound:hba	12
chemicalCompound:hbd	8
chemicalCompound:psa	206.59
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.172
chemicalCompound:acdLogP	-0.111
chemicalCompound:acdLogD	-1.647
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	464.376
chemicalCompound:chemblId	CHEMBL250450
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520125
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CONTIGOSIDE B
chemicalCompound:activity	activity:1072605, activity:1441103, activity:2058194, activity:2058199, activity:2058209, activity:2058210, activity:2058254, activity:2060705, activity:2063382, activity:2063391, activity:2087285, activity:2087295, activity:2087302, activity:2087309, activity:2089138, activity:2174993, activity:2174997, activity:2175001, activity:2175005, activity:2175009, activity:2175012, activity:2175016, activity:2175747, activity:2191019, activity:2191020, activity:2196847, activity:2313918, activity:2313920, activity:2313929, activity:2313931, activity:2317054, activity:2317063, activity:2317072, activity:2320399, activity:2323742, activity:2324465, activity:2328588, activity:2328686, activity:2328739, activity:2328802, activity:2329876, activity:2329967, activity:2333046, activity:2333664, activity:2333841, activity:2334889, activity:2334900, activity:2334911, activity:2334922, activity:2334933, activity:2334953, activity:2334964, activity:2424952, activity:2430897, activity:2430906, activity:2435415, activity:2435447, activity:2435462, activity:2442572, activity:2442573, activity:2442574, activity:2442575, activity:2442603, activity:2442614