550986

Source:http://linkedlifedata.com/resource/chembl/compound/550986

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:4381
chemicalCompound:standardIn...	InChI=1S/C13H15Cl2NO.ClH/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15;/h1,5-6,10H,4,7-9H2,2H3;1H
chemicalCompound:standardIn...	BBAZDLONIUABKI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(CCCOc1ccc(Cl)cc1Cl)CC#C
chemicalCompound:molecularF...	C13H16Cl3NO
chemicalCompound:moleculeId	550986
chemicalCompound:mwFreebase	272.17
chemicalCompound:alogp	4.535
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	12.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.646
chemicalCompound:acdLogD	3.507
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	308.631
chemicalCompound:acdMostBpk...	6.978
chemicalCompound:chemblId	CHEMBL539507
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650986
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CLORGYLINE HYDROCHLORIDE
chemicalCompound:activity	activity:666778, activity:666779, activity:3473369, activity:3489287, activity:3702965, activity:3792732, activity:3821824, activity:3897265, activity:3941318, activity:3989086, activity:4031900, activity:4069531, activity:4200726, activity:4278756, activity:4536054, activity:4706527, activity:4709437, activity:4780607, activity:4796007, activity:4813996, activity:4990971, activity:5029307, activity:5616861, activity:5722218, activity:5855659, activity:5927103, activity:6984544, activity:7005076, activity:7177594, activity:7178872, activity:7366948, activity:7396781, activity:10297928, activity:10406307