432698

Source:http://linkedlifedata.com/resource/chembl/compound/432698

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/C20H17N5OS/c1-13-17(16-12-27-20(21)23-16)18(19(26)22-14-8-4-2-5-9-14)24-25(13)15-10-6-3-7-11-15/h2-12H,1H3,(H2,21,23)(H,22,26)
chemicalCompound:standardIn...	FVZLTZVEEMUELQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(c2csc(N)n2)c(nn1c3ccccc3)C(=O)Nc4ccccc4
chemicalCompound:molecularF...	C20 H17 N5 O S
chemicalCompound:moleculeId	432698
chemicalCompound:mwFreebase	375.447
chemicalCompound:alogp	3.612
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	114.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.161
chemicalCompound:acdLogP	3.193
chemicalCompound:acdLogD	3.193
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	375.447
chemicalCompound:acdMostBpk...	3.543
chemicalCompound:chemblId	CHEMBL258579
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:532698
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:2144936, activity:2144950, activity:2144965, activity:2144980