492164

Source:http://linkedlifedata.com/resource/chembl/compound/492164

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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/C37H53NO2/c1-22(2)23-15-18-37(32(39)40)20-19-35(6)26(30(23)37)13-14-29-34(5)21-25-24-11-9-10-12-27(24)38(8)31(25)33(3,4)28(34)16-17-36(29,35)7/h9-12,22-23,26,28-30H,13-21H2,1-8H3,(H,39,40)/t23-,26+,28-,29+,30+,34-,35+,36+,37-/m0/s1
chemicalCompound:standardIn...	VBXPCTHPHGENCL-CNYWEUNBSA-N
chemicalCompound:canonicalS...	CC(C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c(n(C)c7ccccc67)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
chemicalCompound:molecularF...	C37H53NO2
chemicalCompound:moleculeId	492164
chemicalCompound:mwFreebase	543.822
chemicalCompound:alogp	9.241
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	42.23
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.703
chemicalCompound:acdLogP	10.59
chemicalCompound:acdLogD	7.929
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	543.822
chemicalCompound:chemblId	CHEMBL507248
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:592164
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:2373896, activity:2373911, activity:2373926, activity:2373941, activity:2373956, activity:2373971, activity:2373986, activity:2374001