203339

Source:http://linkedlifedata.com/resource/chembl/compound/203339

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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/C38H57NO4/c1-23(2)25-13-18-38(33(42)39-22-24-9-11-27(40)28(21-24)43-8)20-19-36(6)26(32(25)38)10-12-30-35(5)16-15-31(41)34(3,4)29(35)14-17-37(30,36)7/h9,11,21,25-26,29-32,40-41H,1,10,12-20,22H2,2-8H3,(H,39,42)/t25-,26+,29-,30+,31-,32+,35-,36+,37+,38-/m0/s1
chemicalCompound:standardIn...	VYRNPTYLGKJDHQ-HRBILXKUSA-N
chemicalCompound:canonicalS...	COc1cc(CNC(=O)[C@]23CC[C@H]([C@@H]2[C@H]4CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC3)C(=C)C)ccc1O
chemicalCompound:molecularF...	C38 H57 N O4
chemicalCompound:moleculeId	203339
chemicalCompound:mwFreebase	591.863
chemicalCompound:alogp	7.45
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	78.79
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.764
chemicalCompound:acdLogP	8.497
chemicalCompound:acdLogD	8.495
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	591.863
chemicalCompound:chemblId	CHEMBL125758
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:303339
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:1195114, activity:1195115