513874

Source:http://linkedlifedata.com/resource/chembl/compound/513874

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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/C26H21ClF2N6O2/c1-3-37-22-9-14(6-7-30-22)25-32-13(2)23(24(34-25)17-5-4-16(27)10-18(17)28)26(36)33-21-8-15-12-31-35-20(15)11-19(21)29/h4-12,24H,3H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
chemicalCompound:standardIn...	DSPVWAIHVFERDQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1cc(ccn1)C2=NC(C(=C(C)N2)C(=O)Nc3cc4cn[nH]c4cc3F)c5ccc(Cl)cc5F
chemicalCompound:molecularF...	C26H21ClF2N6O2
chemicalCompound:moleculeId	513874
chemicalCompound:mwFreebase	522.934
chemicalCompound:alogp	4.363
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	104.29
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.854
chemicalCompound:acdLogP	4.542
chemicalCompound:acdLogD	4.54
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	522.934
chemicalCompound:acdMostBpk...	4.721
chemicalCompound:chemblId	CHEMBL521144
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:613874
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:2476018