264138

Source:http://linkedlifedata.com/resource/chembl/compound/264138

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/C15H18N6O2S/c16-14(17)21-15-20-11(8-24-15)10-4-1-3-9(19-10)7-18-13(22)12-5-2-6-23-12/h1,3-4,8,12H,2,5-7H2,(H,18,22)(H4,16,17,20,21)
chemicalCompound:standardIn...	HBKLVWVODJOEPK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)Nc1nc(cs1)c2cccc(CNC(=O)C3CCCO3)n2
chemicalCompound:molecularF...	C15 H18 N6 O2 S
chemicalCompound:moleculeId	264138
chemicalCompound:mwFreebase	346.407
chemicalCompound:alogp	0.692
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	154.25
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.352
chemicalCompound:acdLogP	0.577
chemicalCompound:acdLogD	0.324
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.407
chemicalCompound:acdMostBpk...	7.797
chemicalCompound:chemblId	CHEMBL346550
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:364138
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:261486, activity:261487, activity:261488