153

Source:http://linkedlifedata.com/resource/chembl/compound/153

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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/C19H21F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h4,7,10-11,22H,2-3,5-6,8-9H2,1H3,(H,26,27)
chemicalCompound:standardIn...	QDHPRAPAONIUPQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C=C)c3c2F)C(=O)O
chemicalCompound:molecularF...	C19 H21 F2 N3 O3
chemicalCompound:moleculeId	153
chemicalCompound:mwFreebase	377.385
chemicalCompound:alogp	-0.84
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.183
chemicalCompound:acdLogP	1.485
chemicalCompound:acdLogD	-1.034
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	377.385
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL6312
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100153
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:65767, activity:65768, activity:65769, activity:65770, activity:65771, activity:65772, activity:65773, activity:65774, activity:65775, activity:65776, activity:65777, activity:65778, activity:65779, activity:65780