92228

Source:http://linkedlifedata.com/resource/chembl/compound/92228

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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/C29H37NO4/c1-20(11-16-25-22(3)10-7-17-29(25,4)5)8-6-9-21(2)18-27(32)30-26(28(33)34)19-23-12-14-24(31)15-13-23/h6,8-9,11-16,18,26,31H,7,10,17,19H2,1-5H3,(H,30,32)(H,33,34)/b9-6+,16-11+,20-8+,21-18+
chemicalCompound:standardIn...	WRGYZQBWZGPQHO-PPBWNBFDSA-N
chemicalCompound:canonicalS...	C\C(=C/C=C/C(=C/C(=O)NC(Cc1ccc(O)cc1)C(=O)O)/C)\C=C\C2=C(C)CCCC2(C)C
chemicalCompound:molecularF...	C29 H37 N O4
chemicalCompound:moleculeId	92228
chemicalCompound:mwFreebase	463.608
chemicalCompound:alogp	6.408
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	86.63
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.046
chemicalCompound:acdLogP	5.737
chemicalCompound:acdLogD	2.067
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	463.608
chemicalCompound:chemblId	CHEMBL60646
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192228
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:1080701, activity:1080702, activity:1080703, activity:1080704, activity:1080705, activity:1080706, activity:1080707, activity:1080708, activity:1080709, activity:1080710, activity:1080711, activity:1080712, activity:1080713, activity:1080714, activity:1080715, activity:1080716, activity:1080717, activity:1080718, activity:1080719