583666

Source:http://linkedlifedata.com/resource/chembl/compound/583666

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:583666_GNF-PF-442_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H23ClN4OS/c1-13-3-4-16-14(11-13)18-15(19(21)23-16)12-17(27-18)20(26)22-5-6-25-9-7-24(2)8-10-25/h3-4,11-12H,5-10H2,1-2H3,(H,22,26)
chemicalCompound:standardIn...	NEDCDGRPZGPCFY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CCNC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2)CC1
chemicalCompound:molecularF...	C20H23ClN4OS
chemicalCompound:moleculeId	583666
chemicalCompound:mwFreebase	402.941
chemicalCompound:alogp	3.833
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	76.7
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.423
chemicalCompound:acdLogP	1.301
chemicalCompound:acdLogD	0.849
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	402.941
chemicalCompound:acdMostBpk...	7.588
chemicalCompound:chemblId	CHEMBL601593
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:683666
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:3024116, activity:3027886, activity:3028750, activity:3045633, activity:6236443