498705

Source:http://linkedlifedata.com/resource/chembl/compound/498705

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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/C27H26N6O2S/c1-2-4-20-5-3-6-23(31-20)27-26(19-10-13-22-24(17-19)30-16-15-29-22)32-25(33-27)14-9-18-7-11-21(12-8-18)36(28,34)35/h3,5-8,10-13,15-17H,2,4,9,14H2,1H3,(H,32,33)(H2,28,34,35)
chemicalCompound:standardIn...	NTULPRZNRSWBQY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCc1cccc(n1)c2[nH]c(CCc3ccc(cc3)S(=O)(=O)N)nc2c4ccc5nccnc5c4
chemicalCompound:molecularF...	C27H26N6O2S
chemicalCompound:moleculeId	498705
chemicalCompound:mwFreebase	498.599
chemicalCompound:alogp	4.743
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	135.88
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.212
chemicalCompound:acdLogP	2.511
chemicalCompound:acdLogD	1.801
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	498.599
chemicalCompound:acdMostBpk...	10.699
chemicalCompound:chemblId	CHEMBL477454
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:598705
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:2403446, activity:2403459, activity:2403472