587585

Source:http://linkedlifedata.com/resource/chembl/compound/587585

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:587585_GNF-PF-64_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C29H24N4O2/c1-18-3-7-21(8-4-18)28(34)30-23-13-11-20(12-14-23)27-32-25-16-15-24(17-26(25)33-27)31-29(35)22-9-5-19(2)6-10-22/h3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33)
chemicalCompound:standardIn...	KSQDXVOPMAOCQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(NC(=O)c5ccc(C)cc5)cc4[nH]3
chemicalCompound:molecularF...	C29H24N4O2
chemicalCompound:moleculeId	587585
chemicalCompound:mwFreebase	460.526
chemicalCompound:alogp	5.812
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	86.88
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.401
chemicalCompound:acdLogP	4.08
chemicalCompound:acdLogD	4.077
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.526
chemicalCompound:acdMostBpk...	4.895
chemicalCompound:chemblId	CHEMBL578304
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:687585
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:3023353, activity:3026697, activity:3027544, activity:3044500, activity:6233309