92297

Source:http://linkedlifedata.com/resource/chembl/compound/92297

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C26H39NO3/c1-18(2)16-23(25(29)30)27-24(28)17-20(4)11-8-10-19(3)13-14-22-21(5)12-9-15-26(22,6)7/h8,10-11,13-14,17-18,23H,9,12,15-16H2,1-7H3,(H,27,28)(H,29,30)/b11-8+,14-13+,19-10+,20-17-
chemicalCompound:standardIn...	XILISIALPJYAMY-OGJGQULCSA-N
chemicalCompound:canonicalS...	CC(C)CC(NC(=O)\C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)C(=O)O
chemicalCompound:molecularF...	C26 H39 N O3
chemicalCompound:moleculeId	92297
chemicalCompound:mwFreebase	413.593
chemicalCompound:alogp	6.326
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.4
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.655
chemicalCompound:acdLogP	6.831
chemicalCompound:acdLogD	3.26
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	413.593
chemicalCompound:chemblId	CHEMBL59563
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192297
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:1077177, activity:1077178, activity:1077179, activity:1077180, activity:1077181, activity:1077182, activity:1077183, activity:1077184, activity:1077185, activity:1077186, activity:1077187, activity:1077188, activity:1077189, activity:1077190, activity:1077191, activity:1077192, activity:1077193, activity:1077194, activity:1077195, activity:1077196, activity:1077197, activity:1077198, activity:1077199, activity:1077200, activity:1077201