552910

Source:http://linkedlifedata.com/resource/chembl/compound/552910

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:15989
chemicalCompound:standardIn...	InChI=1S/C17H18FN3O4.ClH/c1-8-7-25-16-13-10(15(22)11(17(23)24)6-21(8)13)4-12(18)14(16)20-3-2-9(19)5-20;/h4,6,8-9H,2-3,5,7,19H2,1H3,(H,23,24);1H
chemicalCompound:standardIn...	TYIWQMPDHDKJRG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1COc2c(N3CCC(N)C3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
chemicalCompound:molecularF...	C17H19ClFN3O4
chemicalCompound:moleculeId	552910
chemicalCompound:mwFreebase	347.341
chemicalCompound:alogp	-1.694
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	96.1
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.192
chemicalCompound:acdLogP	2.001
chemicalCompound:acdLogD	-0.458
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	383.802
chemicalCompound:acdMostBpk...	9.172
chemicalCompound:chemblId	CHEMBL538822
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:652910
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:340716, activity:340717, activity:340718, activity:340719, activity:340720, activity:340721, activity:340722, activity:340723, activity:340724, activity:340725, activity:340726, activity:340727, activity:340728, activity:340729