534636

Source:http://linkedlifedata.com/resource/chembl/compound/534636

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/C30H38Cl3N3O3/c1-22(39-26-9-7-25(31)8-10-26)30(38)35-17-13-23-14-19-36(20-15-23)18-4-2-3-16-34-29(37)12-6-24-5-11-27(32)28(33)21-24/h5-12,21-23H,2-4,13-20H2,1H3,(H,34,37)(H,35,38)/b12-6+
chemicalCompound:standardIn...	RHQJYCMVXLUQDC-WUXMJOGZSA-N
chemicalCompound:canonicalS...	CC(Oc1ccc(Cl)cc1)C(=O)NCCC2CCN(CCCCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)CC2
chemicalCompound:molecularF...	C30H38Cl3N3O3
chemicalCompound:moleculeId	534636
chemicalCompound:mwFreebase	595
chemicalCompound:alogp	6.851
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	70.67
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.822
chemicalCompound:acdLogD	4.674
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	595
chemicalCompound:acdMostBpk...	9.621
chemicalCompound:chemblId	CHEMBL532240
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:634636
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:2828007, activity:2845238, activity:2850973, activity:2865300, activity:2877408, activity:2878778