842614

Source:http://linkedlifedata.com/resource/chembl/compound/842614

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/C9H10N6O3S/c1-5-8(18)11-9(15-12-5)19-4-7(17)14-13-6(16)2-3-10/h2,4H2,1H3,(H,13,16)(H,14,17)(H,11,15,18)
chemicalCompound:standardIn...	HLYWXVZWUSZYED-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nnc(SCC(=O)NNC(=O)CC#N)nc1O
chemicalCompound:molecularF...	C9H10N6O3S
chemicalCompound:moleculeId	842614
chemicalCompound:mwFreebase	282.279
chemicalCompound:alogp	-0.486
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	166.19
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.592
chemicalCompound:acdLogP	-1.443
chemicalCompound:acdLogD	-5.491
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	282.279
chemicalCompound:acdMostBpk...	2.266
chemicalCompound:chemblId	CHEMBL1418730
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942614
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:4358915, activity:4412153, activity:4586100, activity:6566282