691130

Source:http://linkedlifedata.com/resource/chembl/compound/691130

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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/C23H21FN4O3/c1-14-12-27(13-25-14)20-9-4-16(11-21(20)31-3)10-19-22(29)28(23(30)26-19)15(2)17-5-7-18(24)8-6-17/h4-13,15H,1-3H3,(H,26,30)/b19-10-/t15-/m0/s1
chemicalCompound:standardIn...	DQPRQEYWAYIBFI-HNIBHBHRSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/N=C(O)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1n4cnc(C)c4
chemicalCompound:molecularF...	C23H21FN4O3
chemicalCompound:moleculeId	691130
chemicalCompound:mwFreebase	420.436
chemicalCompound:alogp	3.727
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	79.95
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.045
chemicalCompound:acdLogP	3.088
chemicalCompound:acdLogD	1.857
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	420.436
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1224671
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:791130
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:3413559, activity:3413560