32612

Source:http://linkedlifedata.com/resource/chembl/compound/32612

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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/C23H31NO3/c1-3-5-6-15-24-23(27)16-22(18-9-13-20(26)14-10-18)21(4-2)17-7-11-19(25)12-8-17/h7-14,21-22,25-26H,3-6,15-16H2,1-2H3,(H,24,27)/t21-,22+/m1/s1
chemicalCompound:standardIn...	UACUCVGKVIWXGH-YADHBBJMSA-N
chemicalCompound:canonicalS...	CCCCCNC(=O)C[C@H]([C@H](CC)c1ccc(O)cc1)c2ccc(O)cc2
chemicalCompound:molecularF...	C23 H31 N O3
chemicalCompound:moleculeId	32612
chemicalCompound:mwFreebase	369.497
chemicalCompound:alogp	5.278
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	69.56
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.969
chemicalCompound:acdLogP	5.229
chemicalCompound:acdLogD	5.226
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	369.497
chemicalCompound:chemblId	CHEMBL26502
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:132612
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:1032102