1079339

Source:http://linkedlifedata.com/resource/chembl/compound/1079339

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/C15H18N6S2/c1-12(14-17-6-11-23-14)18-19-15(22)21-9-7-20(8-10-21)13-4-2-3-5-16-13/h2-6,11H,7-10H2,1H3,(H,19,22)
chemicalCompound:standardIn...	YEZYPWUWHPJFLE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=NNC(=S)N1CCN(CC1)c2ccccn2)c3nccs3
chemicalCompound:molecularF...	C15H18N6S2
chemicalCompound:moleculeId	1079339
chemicalCompound:mwFreebase	346.474
chemicalCompound:alogp	2.628
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	116.98
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.961
chemicalCompound:acdLogP	2.167
chemicalCompound:acdLogD	0.818
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.474
chemicalCompound:acdMostBpk...	8.428
chemicalCompound:chemblId	CHEMBL1698608
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1179339
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:5330813, activity:5353526, activity:5429340, activity:5502611, activity:5692274, activity:5776642, activity:5974291, activity:6471670, activity:6641915, activity:6733679, activity:6758128, activity:6769321, activity:6770907, activity:6781914, activity:6869929, activity:6971449, activity:7033491, activity:7066584, activity:7246135, activity:7251241, activity:7279748, activity:7337629, activity:7351863, activity:7359143, activity:7450153, activity:7461636, activity:7464648, activity:7471755, activity:7494669, activity:7546385