496854

Source:http://linkedlifedata.com/resource/chembl/compound/496854

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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/C31H32N4O7/c1-6-31(42-24(36)14-32-26(37)21-13-29(2,3)35(40)30(21,4)5)20-12-23-25-18(11-17-9-7-8-10-22(17)33-25)15-34(23)27(38)19(20)16-41-28(31)39/h7-13,40H,6,14-16H2,1-5H3,(H,32,37)/t31-/m0/s1
chemicalCompound:standardIn...	MKIYPHCBMWGBEO-HKBQPEDESA-N
chemicalCompound:canonicalS...	CC[C@@]1(OC(=O)CNC(=O)C2=CC(C)(C)N(O)C2(C)C)C(=O)OCC3=C1C=C4N(Cc5cc6ccccc6nc45)C3=O
chemicalCompound:molecularF...	C31H32N4O7
chemicalCompound:moleculeId	496854
chemicalCompound:mwFreebase	572.608
chemicalCompound:alogp	2.156
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	138.37
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.944
chemicalCompound:acdLogP	1.001
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	572.608
chemicalCompound:acdMostBpk...	4.633
chemicalCompound:chemblId	CHEMBL500962
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596854
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:2619142, activity:2619148, activity:2619149, activity:2619150, activity:2619151, activity:2619152, activity:2619153, activity:2619154, activity:2619155, activity:2619156, activity:2619157