350235

Source:http://linkedlifedata.com/resource/chembl/compound/350235

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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:350235_BMS-509744_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
chemicalCompound:standardIn...	ZHXNIYGJAOPMSO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N4CCN(CC4)C(=O)C
chemicalCompound:molecularF...	C32 H41 N5 O4 S2
chemicalCompound:moleculeId	350235
chemicalCompound:mwFreebase	623.829
chemicalCompound:alogp	4.336
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	157.41
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.652
chemicalCompound:acdLogP	4.918
chemicalCompound:acdLogD	2.521
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	623.829
chemicalCompound:acdMostBpk...	9.784
chemicalCompound:chemblId	CHEMBL209148
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:450235
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:1734472, activity:1734473, activity:1734476, activity:1734478, activity:1734479, activity:1734505, activity:1734506, activity:1734513, activity:1734544, activity:1734545, activity:1734668, activity:1734671, activity:1734674, activity:1734676, activity:1734678, activity:1734680, activity:1734682, activity:1734685, activity:1734687, activity:1734689, activity:1734692, activity:1734701, activity:1734702, activity:1734704, activity:1734709, activity:1734712, activity:1734714, activity:1734717, activity:1734720, activity:1734725, activity:1734727, activity:1734729, activity:1734730, activity:1734733, activity:1734735, activity:1734738, activity:1734741, activity:1734745, activity:1734749, activity:1734751, activity:1734753, activity:1734754, activity:1734759, activity:1734764, activity:1734772, activity:1734774, activity:1734775, activity:1734776, activity:1735150, activity:1735226, activity:3447702, activity:3447703, activity:3447704, activity:3447705, activity:3447706