690276

Source:http://linkedlifedata.com/resource/chembl/compound/690276

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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/C24H24FN5O2/c1-4-26-24-28-20(23(31)30(24)14-17-5-8-19(25)9-6-17)11-18-7-10-21(22(12-18)32-3)29-13-16(2)27-15-29/h5-13,15H,4,14H2,1-3H3,(H,26,28)/b20-11-
chemicalCompound:standardIn...	DJABFSKRSPBFDM-JAIQZWGSSA-N
chemicalCompound:canonicalS...	CCNC1=N\C(=C/c2ccc(c(OC)c2)n3cnc(C)c3)\C(=O)N1Cc4ccc(F)cc4
chemicalCompound:molecularF...	C24H24FN5O2
chemicalCompound:moleculeId	690276
chemicalCompound:mwFreebase	433.478
chemicalCompound:alogp	3.276
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.75
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.227
chemicalCompound:acdLogD	3.222
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	433.478
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223826
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790276
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:3413603, activity:3413604