1313

Source:http://linkedlifedata.com/resource/chembl/compound/1313

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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/C21H25ClN6O2/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4/h5-11H,12H2,1-4H3,(H4,23,24,25,26)
chemicalCompound:standardIn...	WJHBDAIAIDOONY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)C(=O)c1cccc(COc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)c1
chemicalCompound:molecularF...	C21 H25 Cl N6 O2
chemicalCompound:moleculeId	1313
chemicalCompound:mwFreebase	428.915
chemicalCompound:alogp	2.604
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	109.54
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.746
chemicalCompound:acdLogD	-0.926
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	428.915
chemicalCompound:acdMostBpk...	9.336
chemicalCompound:chemblId	CHEMBL6666
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101313
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:68795, activity:68796, activity:68797, activity:68798, activity:504632, activity:511692, activity:577574