15641

Source:http://linkedlifedata.com/resource/chembl/compound/15641

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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/C18H22FN3O3/c1-18(2,3)22-10-12(17(24)25)16(23)11-8-13(19)15(9-14(11)22)21-6-4-20-5-7-21/h8-10,20H,4-7H2,1-3H3,(H,24,25)
chemicalCompound:standardIn...	CTXPWRRGJDHGNC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)N1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3
chemicalCompound:molecularF...	C18 H22 F N3 O3
chemicalCompound:moleculeId	15641
chemicalCompound:mwFreebase	347.384
chemicalCompound:alogp	-0.828
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.159
chemicalCompound:acdLogP	2.508
chemicalCompound:acdLogD	0.103
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	347.384
chemicalCompound:acdMostBpk...	8.678
chemicalCompound:chemblId	CHEMBL14971
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115641
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:37421, activity:154055, activity:154056, activity:154057, activity:154058, activity:154059, activity:154060, activity:154061, activity:154062, activity:154063, activity:154064, activity:154065, activity:154066, activity:154067, activity:259331, activity:259332, activity:259333, activity:259334, activity:279307, activity:279308, activity:279309, activity:279310, activity:279311, activity:279312, activity:279313, activity:624686, activity:624687, activity:624688, activity:624689, activity:624690, activity:624691, activity:624692, activity:624693, activity:624694, activity:624695, activity:1106571, activity:1106572, activity:1106573, activity:1106574, activity:1106575, activity:1106576, activity:1106577, activity:1106578, activity:1106579, activity:1106580, activity:1106581, activity:1106582, activity:1106583, activity:1106584, activity:1106585, activity:1106586