202

Source:http://linkedlifedata.com/resource/chembl/compound/202

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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/C20H25F2N3O3/c1-4-23-8-12-5-6-24(9-12)18-15(21)7-13-17(16(18)22)25(11(2)3)10-14(19(13)26)20(27)28/h7,10-12,23H,4-6,8-9H2,1-3H3,(H,27,28)
chemicalCompound:standardIn...	GUTIIQCJYCJEHT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C(C)C)c3c2F)C(=O)O
chemicalCompound:molecularF...	C20 H25 F2 N3 O3
chemicalCompound:moleculeId	202
chemicalCompound:mwFreebase	393.428
chemicalCompound:alogp	-0.198
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	3.765
chemicalCompound:acdLogD	1.263
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	393.428
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL265664
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100202
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:59023, activity:59024, activity:59025, activity:59026, activity:59027, activity:59028, activity:59029, activity:59030, activity:59031, activity:59032, activity:59033, activity:59034, activity:59035, activity:59036