92024

Source:http://linkedlifedata.com/resource/chembl/compound/92024

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/C29H37NO3/c1-21(16-17-25-23(3)13-10-18-29(25,4)5)11-9-12-22(2)19-27(31)30-26(28(32)33)20-24-14-7-6-8-15-24/h6-9,11-12,14-17,19,26H,10,13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b12-9+,17-16+,21-11+,22-19+
chemicalCompound:standardIn...	KQFROUCLXDASFA-SLZPJANQSA-N
chemicalCompound:canonicalS...	C\C(=C/C=C/C(=C/C(=O)NC(Cc1ccccc1)C(=O)O)/C)\C=C\C2=C(C)CCCC2(C)C
chemicalCompound:molecularF...	C29 H37 N O3
chemicalCompound:moleculeId	92024
chemicalCompound:mwFreebase	447.609
chemicalCompound:alogp	6.65
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.4
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.508
chemicalCompound:acdLogP	6.39
chemicalCompound:acdLogD	2.767
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	447.609
chemicalCompound:chemblId	CHEMBL292830
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192024
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:1099655, activity:1099656, activity:1099657, activity:1099658, activity:1099659, activity:1099660, activity:1099661, activity:1099662, activity:1099663, activity:1099664, activity:1099665, activity:1099666, activity:1099667, activity:1099668, activity:1099669, activity:1099670, activity:1099671, activity:1099672, activity:1099673, activity:1099674, activity:1099675, activity:1099676, activity:1099677, activity:1099678, activity:1099679