652484

Source:http://linkedlifedata.com/resource/chembl/compound/652484

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C21H34Cl2N/c1-4-7-8-9-11-17-24(5-2,6-3)18-12-10-14-19-15-13-16-20(22)21(19)23/h10,12-13,15-16H,4-9,11,14,17-18H2,1-3H3/q+1/b12-10-
chemicalCompound:standardIn...	JMSJPIPEOFLODN-BENRWUELSA-N
chemicalCompound:canonicalS...	CCCCCCC[N+](CC)(CC)C\C=C/Cc1cccc(Cl)c1Cl
chemicalCompound:molecularF...	C21H34Cl2N
chemicalCompound:moleculeId	652484
chemicalCompound:mwFreebase	371.407
chemicalCompound:alogp	6.196
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.633
chemicalCompound:acdLogD	1.633
chemicalCompound:fullMwt	371.407
chemicalCompound:chemblId	CHEMBL1178534
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:752484
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No