1297331

Source:http://linkedlifedata.com/resource/chembl/compound/1297331

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/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
chemicalCompound:standardIn...	BKWJAKQVGHWELA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2
chemicalCompound:molecularF...	C27H32N8O2
chemicalCompound:moleculeId	1297331
chemicalCompound:mwFreebase	500.595
chemicalCompound:alogp	4.158
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	100.96
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.267
chemicalCompound:acdLogP	3.373
chemicalCompound:acdLogD	2.769
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	500.595
chemicalCompound:acdMostBpk...	7.867
chemicalCompound:chemblId	CHEMBL1976040
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1397331
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:9507961, activity:9511309, activity:9511815, activity:9512051, activity:9515136, activity:9519376, activity:9519794, activity:9519976, activity:9520687, activity:9524051, activity:9531970, activity:9532787, activity:9532899, activity:9533258, activity:9544770, activity:9548286, activity:9548465, activity:9552136, activity:9561019, activity:9565292, activity:9569183, activity:9573660, activity:9577610, activity:9578161, activity:9579587, activity:9583634, activity:9584124, activity:9584204, activity:9584794, activity:9586627, activity:9589084, activity:9589224, activity:9591982, activity:9592274, activity:9593385, activity:9594414, activity:9594739, activity:9595998, activity:9596315, activity:9597709, activity:9601232, activity:9601883, activity:9602906, activity:9608234, activity:9616405, activity:9617067, activity:9617334, activity:9618981, activity:9619916, activity:9620479, activity:9625730, activity:9627002, activity:9628686, activity:9629856, activity:9630889, activity:9640510, activity:9644438, activity:9648142, activity:9652345, activity:9652887, activity:9661317, activity:9669970, activity:9678670, activity:9681774, activity:9682493, activity:9690251