146000

Source:http://linkedlifedata.com/resource/chembl/compound/146000

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:146000_BMS-181162_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16+,23-13-
chemicalCompound:standardIn...	XKKDQOHDTASHCE-KZEPKJRYSA-N
chemicalCompound:canonicalS...	C\C(=C/C=C(/C(=C/C(=O)O)/C)\c1cccc(c1)C(=O)O)\C=C\C2=C(C)CCCC2(C)C
chemicalCompound:molecularF...	C27 H32 O4
chemicalCompound:moleculeId	146000
chemicalCompound:mwFreebase	420.541
chemicalCompound:alogp	6.659
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.6
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.146
chemicalCompound:acdLogP	6.716
chemicalCompound:acdLogD	2.064
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	420.541
chemicalCompound:chemblId	CHEMBL313583
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:246000
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:527851, activity:527852, activity:921254, activity:921255