619263

Source:http://linkedlifedata.com/resource/chembl/compound/619263

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/C15H18N6O3S/c1-11(22)20-14(9-24-7-6-19-21-16)15(23)17-8-12-2-4-13(5-3-12)18-10-25/h2-5,14H,6-9H2,1H3,(H,17,23)(H,20,22)/t14-/m1/s1
chemicalCompound:standardIn...	MSTMBWPHAKTVFI-CQSZACIVSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@H](COCCN=[N+]=[N-])C(=O)NCc1ccc(cc1)N=C=S
chemicalCompound:molecularF...	C15H18N6O3S
chemicalCompound:moleculeId	619263
chemicalCompound:mwFreebase	362.407
chemicalCompound:alogp	1.543
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	161.63
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.632
chemicalCompound:acdLogP	2.273
chemicalCompound:acdLogD	2.273
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.407
chemicalCompound:chemblId	CHEMBL1090773
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719263
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:3256247, activity:3256267, activity:3256287, activity:3256307, activity:3256324, activity:3256338, activity:3256380, activity:3256399, activity:3256415, activity:3256426