430892

Source:http://linkedlifedata.com/resource/chembl/compound/430892

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C33H25ClN4O5S/c34-22-12-10-21(11-13-22)30(20-6-2-1-3-7-20)36-16-14-35(15-17-36)26-19-25-23(18-27(26)38(42)43)31(39)29(33(40)41)32-37(25)24-8-4-5-9-28(24)44-32/h1-13,18-19,30H,14-17H2,(H,40,41)
chemicalCompound:standardIn...	FBJFIBZGNZBQSD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C1=C2Sc3ccccc3N2c4cc(N5CCN(CC5)C(c6ccccc6)c7ccc(Cl)cc7)c(cc4C1=O)[N+](=O)[O-]
chemicalCompound:molecularF...	C33 H25 Cl N4 O5 S
chemicalCompound:moleculeId	430892
chemicalCompound:mwFreebase	625.093
chemicalCompound:alogp	4.559
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	135.2
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.642
chemicalCompound:acdLogP	4.23
chemicalCompound:acdLogD	1.54
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	625.093
chemicalCompound:acdMostBpk...	5.069
chemicalCompound:chemblId	CHEMBL259317
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530892
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:2144165, activity:2144200, activity:2144256, activity:2144286