196

Source:http://linkedlifedata.com/resource/chembl/compound/196

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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/C21H25F2N3O3/c1-3-24-8-12-4-5-25(9-12)19-15(22)7-13-18(17(19)23)26(16-6-11(16)2)10-14(20(13)27)21(28)29/h7,10-12,16,24H,3-6,8-9H2,1-2H3,(H,28,29)
chemicalCompound:standardIn...	XPYFMRJMSWBCNG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4C)c3c2F)C(=O)O
chemicalCompound:molecularF...	C21 H25 F2 N3 O3
chemicalCompound:moleculeId	196
chemicalCompound:mwFreebase	405.438
chemicalCompound:alogp	-0.115
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.398
chemicalCompound:acdLogP	3.829
chemicalCompound:acdLogD	1.303
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	405.438
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL6282
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100196
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:36873, activity:36874, activity:36875, activity:36876, activity:36877, activity:36878, activity:36879, activity:36880, activity:36881, activity:36882, activity:36883, activity:36884, activity:36885, activity:36886