40576

Source:http://linkedlifedata.com/resource/chembl/compound/40576

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:40576_SCH-57726_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
chemicalCompound:standardIn...	COWBACSJPXQWNS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)c2c(nc(c3ccc(cc3)C4CCCCC4)n2Cc5ccccc5)N6CC7(CCCC7)N=C16
chemicalCompound:molecularF...	C31 H35 N5 O
chemicalCompound:moleculeId	40576
chemicalCompound:mwFreebase	493.642
chemicalCompound:alogp	6.937
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	53.73
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.532
chemicalCompound:acdLogD	5.532
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	493.642
chemicalCompound:acdMostBpk...	3.188
chemicalCompound:chemblId	CHEMBL28676
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:140576
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:1218253, activity:1218254, activity:1218255, activity:1218256, activity:1218257