583638

Source:http://linkedlifedata.com/resource/chembl/compound/583638

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:671644
chemicalCompound:synonym	synonym:583638_GNF-PF-412_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H20N4O.ClH/c1-14-9-10-15(2)19(12-14)24-21-23-18-8-4-3-7-17(18)20(25-21)22-13-16-6-5-11-26-16;/h3-12H,13H2,1-2H3,(H2,22,23,24,25);1H
chemicalCompound:standardIn...	JNKATWBOPVFVGJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccc(C)c(Nc2nc(NCc3occc3)c4ccccc4n2)c1
chemicalCompound:molecularF...	C21H21ClN4O
chemicalCompound:moleculeId	583638
chemicalCompound:mwFreebase	344.41
chemicalCompound:alogp	4.907
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	62.98
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.385
chemicalCompound:acdLogD	2.841
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	380.871
chemicalCompound:acdMostBpk...	7.666
chemicalCompound:chemblId	CHEMBL582732
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:683638
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:3024086, activity:3027856, activity:3028720, activity:3045603, activity:6232788