203

Source:http://linkedlifedata.com/resource/chembl/compound/203

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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/C22H27F2N3O3/c1-2-25-10-13-7-8-26(11-13)20-17(23)9-15-19(18(20)24)27(14-5-3-4-6-14)12-16(21(15)28)22(29)30/h9,12-14,25H,2-8,10-11H2,1H3,(H,29,30)
chemicalCompound:standardIn...	YTFLEBJQRSWDNB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CCCC4)c3c2F)C(=O)O
chemicalCompound:molecularF...	C22 H27 F2 N3 O3
chemicalCompound:moleculeId	203
chemicalCompound:mwFreebase	419.465
chemicalCompound:alogp	0.478
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.448
chemicalCompound:acdLogP	4.347
chemicalCompound:acdLogD	1.818
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	419.465
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL6265
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100203
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:44026, activity:44027, activity:44028, activity:44029, activity:44030, activity:44031, activity:44032, activity:44033, activity:44034, activity:44035, activity:44036, activity:44037, activity:44038, activity:44039