381840

Source:http://linkedlifedata.com/resource/chembl/compound/381840

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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/C14H14ClN3O2/c1-8-10(3-2-9(6-16)13(8)15)18-7-11-12(19)4-5-17(11)14(18)20/h2-3,11-12,19H,4-5,7H2,1H3/t11-,12-/m1/s1
chemicalCompound:standardIn...	INWVYYLEFLPGMU-VXGBXAGGSA-N
chemicalCompound:canonicalS...	Cc1c(Cl)c(ccc1N2C[C@@H]3[C@H](O)CCN3C2=O)C#N
chemicalCompound:molecularF...	C14H14ClN3O2
chemicalCompound:moleculeId	381840
chemicalCompound:mwFreebase	291.733
chemicalCompound:alogp	1.605
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	67.56
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.204
chemicalCompound:acdLogD	1.204
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	291.733
chemicalCompound:chemblId	CHEMBL229808
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:481840
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:1904938, activity:1904953, activity:1904957, activity:1904967, activity:1904968, activity:1904985, activity:1904992, activity:1905026, activity:2525819, activity:2525833, activity:2526925