901157

Source:http://linkedlifedata.com/resource/chembl/compound/901157

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H21N5O2/c1-15(31)30-10-9-17-20(11-26)24(29)25(13-27,14-28)23(21(17)12-30)19-7-8-22(32-2)18-6-4-3-5-16(18)19/h3-9,21,23H,10,12,29H2,1-2H3/t21-,23+/m0/s1
chemicalCompound:standardIn...	JKQGNOSEFIWBII-JTHBVZDNSA-N
chemicalCompound:canonicalS...	COc1ccc([C@@H]2[C@H]3CN(CC=C3C(=C(N)C2(C#N)C#N)C#N)C(=O)C)c4ccccc14
chemicalCompound:molecularF...	C25H21N5O2
chemicalCompound:moleculeId	901157
chemicalCompound:mwFreebase	423.467
chemicalCompound:alogp	1.11
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	126.92
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.965
chemicalCompound:acdLogD	3.965
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.467
chemicalCompound:acdMostBpk...	3.131
chemicalCompound:chemblId	CHEMBL1477273
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1001157
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:3700757, activity:3710164, activity:3737407, activity:3983239, activity:4010317, activity:4209603, activity:4301085, activity:4336372, activity:4444012, activity:4513168, activity:4586827, activity:4727511, activity:5683386, activity:6455000, activity:6628356, activity:6900452, activity:7057543, activity:7158202, activity:7259182, activity:9829422