803685

Source:http://linkedlifedata.com/resource/chembl/compound/803685

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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/C19H16ClN5/c20-16-9-5-4-8-15(16)11-25(10-14-6-2-1-3-7-14)19-17-18(22-12-21-17)23-13-24-19/h1-9,12-13H,10-11H2,(H,21,22,23,24)
chemicalCompound:standardIn...	BVXQOOHENWQFFB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccccc1CN(Cc2ccccc2)c3[nH]cnc4ncnc34
chemicalCompound:molecularF...	C19H16ClN5
chemicalCompound:moleculeId	803685
chemicalCompound:mwFreebase	349.817
chemicalCompound:alogp	4.017
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	57.7
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.611
chemicalCompound:acdLogD	1.252
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	349.817
chemicalCompound:acdMostBpk...	9.062
chemicalCompound:chemblId	CHEMBL1379801
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:903685
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:3621718, activity:3636263, activity:3766412, activity:3804748, activity:3942947, activity:4129586, activity:4197253, activity:4464350, activity:4515335, activity:4518622, activity:4588367, activity:4722329, activity:4793653, activity:4921691, activity:4990484, activity:5852807, activity:6872680, activity:7011534, activity:7056681, activity:7229400, activity:7283631, activity:7337940, activity:7437171, activity:7523391, activity:10792781