195

Source:http://linkedlifedata.com/resource/chembl/compound/195

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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/C18H21F2N3O4/c1-3-21-7-10-4-5-22(8-10)16-13(19)6-11-15(14(16)20)23(27-2)9-12(17(11)24)18(25)26/h6,9-10,21H,3-5,7-8H2,1-2H3,(H,25,26)
chemicalCompound:standardIn...	XHJMRSGFFAWHKF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(OC)c3c2F)C(=O)O
chemicalCompound:molecularF...	C18 H21 F2 N3 O4
chemicalCompound:moleculeId	195
chemicalCompound:mwFreebase	381.374
chemicalCompound:alogp	-1.061
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	82.11
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.774
chemicalCompound:acdLogP	1.662
chemicalCompound:acdLogD	-0.846
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	381.374
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL6289
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100195
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:59009, activity:59010, activity:59011, activity:59012, activity:59013, activity:59014, activity:59015, activity:59016, activity:59017, activity:59018, activity:59019, activity:59020, activity:59021, activity:59022