960574

Source:http://linkedlifedata.com/resource/chembl/compound/960574

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/C18H19N3O3S/c1-24-17(23)12-7-8-14-15(11-12)20-18(25-10-9-19)21(16(14)22)13-5-3-2-4-6-13/h7-8,11,13H,2-6,10H2,1H3
chemicalCompound:standardIn...	QMBDLPUKRMHLRZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1ccc2C(=O)N(C3CCCCC3)C(=Nc2c1)SCC#N
chemicalCompound:molecularF...	C18H19N3O3S
chemicalCompound:moleculeId	960574
chemicalCompound:mwFreebase	357.427
chemicalCompound:alogp	3.68
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	108.06
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.389
chemicalCompound:acdLogD	3.389
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.427
chemicalCompound:chemblId	CHEMBL1536690
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1060574
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:3738378, activity:3924604, activity:4132314, activity:4434010, activity:4444138, activity:4601254, activity:4619445, activity:5523906, activity:5791041, activity:5897641, activity:7319649, activity:7498305