1198611

Source:http://linkedlifedata.com/resource/chembl/compound/1198611

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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/C16H15Cl2N3O/c1-3-15-19-10(2)7-21(15)8-12-9-22-16(20-12)13-5-4-11(17)6-14(13)18/h4-7,9H,3,8H2,1-2H3
chemicalCompound:standardIn...	NFACTVWWPKHXKA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1nc(C)cn1Cc2coc(n2)c3ccc(Cl)cc3Cl
chemicalCompound:molecularF...	C16H15Cl2N3O
chemicalCompound:moleculeId	1198611
chemicalCompound:mwFreebase	336.216
chemicalCompound:alogp	4.083
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	43.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.65
chemicalCompound:acdLogD	3.397
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.216
chemicalCompound:acdMostBpk...	7.3
chemicalCompound:chemblId	CHEMBL1858032
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1298611
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:6417064