188825

Source:http://linkedlifedata.com/resource/chembl/compound/188825

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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/C24H23ClFN5O2/c1-14(31(2)3)5-8-23(32)30-21-10-17-20(11-22(21)33-4)28-13-15(12-27)24(17)29-16-6-7-19(26)18(25)9-16/h5-11,13-14H,1-4H3,(H,28,29)(H,30,32)/b8-5+
chemicalCompound:standardIn...	LQJFAOUCESCUCC-VMPITWQZSA-N
chemicalCompound:canonicalS...	COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C(C)N(C)C
chemicalCompound:molecularF...	C24 H23 Cl F N5 O2
chemicalCompound:moleculeId	188825
chemicalCompound:mwFreebase	467.923
chemicalCompound:alogp	4.484
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	90.28
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.066
chemicalCompound:acdLogP	1.955
chemicalCompound:acdLogD	1.241
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	467.923
chemicalCompound:acdMostBpk...	8.09
chemicalCompound:chemblId	CHEMBL113901
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288825
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:368906, activity:368907, activity:368908, activity:368909, activity:368910, activity:1052748, activity:6261380