292858

Source:http://linkedlifedata.com/resource/chembl/compound/292858

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/C27H26ClNO2/c1-31-24-13-9-21(10-14-24)25-27(26(30)29(25)23-5-3-2-4-6-23)17-15-20(16-18-27)19-7-11-22(28)12-8-19/h2-14,20,25H,15-18H2,1H3/t20?,25-,27?/m0/s1
chemicalCompound:standardIn...	LFEWDCIBQHWEGZ-DEQUOLNYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2N(C(=O)C23CCC(CC3)c4ccc(Cl)cc4)c5ccccc5
chemicalCompound:molecularF...	C27 H26 Cl N O2
chemicalCompound:moleculeId	292858
chemicalCompound:mwFreebase	431.954
chemicalCompound:alogp	6.511
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.216
chemicalCompound:acdLogD	7.216
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.954
chemicalCompound:chemblId	CHEMBL368293
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:392858
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:635789, activity:635790, activity:635791, activity:666269, activity:666270