705741

Source:http://linkedlifedata.com/resource/chembl/compound/705741

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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:244099
chemicalCompound:standardIn...	InChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1
chemicalCompound:standardIn...	QICQDZXGZOVTEF-MELYUZJYSA-N
chemicalCompound:canonicalS...	Cl.CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
chemicalCompound:molecularF...	C16H16Cl3N
chemicalCompound:moleculeId	705741
chemicalCompound:mwFreebase	292.203
chemicalCompound:alogp	4.54
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.394
chemicalCompound:acdLogD	2.532
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	328.664
chemicalCompound:acdMostBpk...	9.282
chemicalCompound:chemblId	CHEMBL1256749
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805741
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	INDATRALINE HYDROCHLORIDE
chemicalCompound:activity	activity:3484584, activity:3484672, activity:3484758, activity:3484834, activity:3484903, activity:3485689, activity:3485777, activity:3492302, activity:3634073, activity:3665409, activity:3696340, activity:3780523, activity:3784124, activity:3802314, activity:3897337, activity:3941370, activity:3974125, activity:4067965, activity:4209830, activity:4279431, activity:4358687, activity:4403369, activity:4449302, activity:4536201, activity:4539030, activity:4539380, activity:4568518, activity:4970529, activity:4994862, activity:5037273, activity:5065148, activity:5529048, activity:5566975, activity:5685197, activity:5710283, activity:5855554, activity:5874958, activity:6530955, activity:7099272, activity:7353944, activity:7539759, activity:9333741, activity:10293593