34097

Source:http://linkedlifedata.com/resource/chembl/compound/34097

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/C33H30ClN3O4/c1-3-4-15-27-35-31(34)26(20-28(38)41-2)36(27)21-22-16-18-25(19-17-22)37-32(39)29(23-11-7-5-8-12-23)30(33(37)40)24-13-9-6-10-14-24/h5-14,16-19H,3-4,15,20-21H2,1-2H3
chemicalCompound:standardIn...	OPQBJKJARHAQEW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(cc2)N3C(=O)C(=C(C3=O)c4ccccc4)c5ccccc5
chemicalCompound:molecularF...	C33 H30 Cl N3 O4
chemicalCompound:moleculeId	34097
chemicalCompound:mwFreebase	568.062
chemicalCompound:alogp	6.917
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	81.5
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.511
chemicalCompound:acdLogD	4.511
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	568.062
chemicalCompound:acdMostBpk...	4.09
chemicalCompound:chemblId	CHEMBL434586
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134097
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:671393