838184

Source:http://linkedlifedata.com/resource/chembl/compound/838184

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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/C23H18ClN3O2/c24-19-7-3-1-6-18(19)22-21-17(16-5-2-4-8-20(16)25-21)11-14-27(22)23(28)15-9-12-26(29)13-10-15/h1-10,12-13,22,25H,11,14H2
chemicalCompound:standardIn...	NXCFDEABUNVVHZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][n+]1ccc(cc1)C(=O)N2CCc3c([nH]c4ccccc34)C2c5ccccc5Cl
chemicalCompound:molecularF...	C23H18ClN3O2
chemicalCompound:moleculeId	838184
chemicalCompound:mwFreebase	403.861
chemicalCompound:alogp	3.662
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	61.56
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.113
chemicalCompound:acdLogD	4.113
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	403.861
chemicalCompound:chemblId	CHEMBL1414300
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:938184
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:3724705, activity:4139632, activity:4401301, activity:4587459, activity:4948594, activity:5061869, activity:5814339, activity:5962915, activity:7078615, activity:7365617, activity:7462736