935601

Source:http://linkedlifedata.com/resource/chembl/compound/935601

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:425
chemicalCompound:standardIn...	InChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-4,12-13H,5-7H2;1H
chemicalCompound:standardIn...	VNAOGYKTNRGMRR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C1Cc2[nH]c3ccccc3c2CN1
chemicalCompound:molecularF...	C11H13ClN2
chemicalCompound:moleculeId	935601
chemicalCompound:mwFreebase	172.226
chemicalCompound:alogp	1.74
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	27.82
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.555
chemicalCompound:acdLogD	-1.488
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	208.687
chemicalCompound:acdMostBpk...	11.053
chemicalCompound:chemblId	CHEMBL1511717
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1035601
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:5395074, activity:5665043, activity:5781901, activity:6712268, activity:6875382, activity:7279391, activity:10466119