432735

Source:http://linkedlifedata.com/resource/chembl/compound/432735

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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/C21H20N6O2S/c1-14-18(17(28)12-13-23-25-21(22)30)19(20(29)24-15-8-4-2-5-9-15)26-27(14)16-10-6-3-7-11-16/h2-13,23H,1H3,(H,24,29)(H3,22,25,30)/b13-12+
chemicalCompound:standardIn...	ASWASOMGLHWTPF-OUKQBFOZSA-N
chemicalCompound:canonicalS...	Cc1c(C(=O)\C=C\NNC(=S)N)c(nn1c2ccccc2)C(=O)Nc3ccccc3
chemicalCompound:molecularF...	C21 H20 N6 O2 S
chemicalCompound:moleculeId	432735
chemicalCompound:mwFreebase	420.487
chemicalCompound:alogp	2.652
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	146.16
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.694
chemicalCompound:acdLogP	1.626
chemicalCompound:acdLogD	1.626
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	420.487
chemicalCompound:acdMostBpk...	0.959
chemicalCompound:chemblId	CHEMBL266464
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:532735
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:2144940, activity:2144954, activity:2144969, activity:2144984