1020503

Source:http://linkedlifedata.com/resource/chembl/compound/1020503

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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/C21H21N5/c1-14(2)26-9-8-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)15-6-4-3-5-7-15/h3-8,14,18-19H,9,11,25H2,1-2H3
chemicalCompound:standardIn...	FPTLOLQFVKCXGF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)N1CC=C2C(C1)C(c3ccccc3)C(C#N)(C#N)C(=C2C#N)N
chemicalCompound:molecularF...	C21H21N5
chemicalCompound:moleculeId	1020503
chemicalCompound:mwFreebase	343.425
chemicalCompound:alogp	1.685
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	100.63
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.517
chemicalCompound:acdLogD	2.511
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	343.425
chemicalCompound:acdMostBpk...	5.676
chemicalCompound:chemblId	CHEMBL1596619
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1120503
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:3617228, activity:3704961, activity:3772522, activity:3791945, activity:3865029, activity:4037256, activity:4143183, activity:4297982, activity:4331307, activity:4480159, activity:4515829, activity:4610975, activity:4695524, activity:4711853, activity:4780195, activity:4897972, activity:4996995, activity:5041917, activity:5445865, activity:5694566, activity:5963680, activity:6584850, activity:6755113, activity:6862026, activity:6951120, activity:7234201, activity:7561157, activity:10556202, activity:10664324