204

Source:http://linkedlifedata.com/resource/chembl/compound/204

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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/C23H22F3N3O3/c1-2-27-10-13-7-8-28(11-13)21-18(25)9-16-20(19(21)26)29(12-17(22(16)30)23(31)32)15-5-3-14(24)4-6-15/h3-6,9,12-13,27H,2,7-8,10-11H2,1H3,(H,31,32)
chemicalCompound:standardIn...	FXQNQEKWVGWJLT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(c4ccc(F)cc4)c3c2F)C(=O)O
chemicalCompound:molecularF...	C23 H22 F3 N3 O3
chemicalCompound:moleculeId	204
chemicalCompound:mwFreebase	445.434
chemicalCompound:alogp	0.875
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.14
chemicalCompound:acdLogP	2.339
chemicalCompound:acdLogD	-0.178
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	445.434
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL268887
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100204
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:38100, activity:38101, activity:38102, activity:38103, activity:38104, activity:38105, activity:38106, activity:38107, activity:38108, activity:38109, activity:38110, activity:38111, activity:38112, activity:38113