1122561

Source:http://linkedlifedata.com/resource/chembl/compound/1122561

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:967
chemicalCompound:standardIn...	InChI=1S/C13H16N4O.ClH/c1-18-10-2-3-11-12(8-10)15-9-13(16-11)17-6-4-14-5-7-17;/h2-3,8-9,14H,4-7H2,1H3;1H
chemicalCompound:standardIn...	JWGHVLFYFMNVIQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc2nc(cnc2c1)N3CCNCC3
chemicalCompound:molecularF...	C13H17ClN4O
chemicalCompound:moleculeId	1122561
chemicalCompound:mwFreebase	244.292
chemicalCompound:alogp	1.4
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	50.28
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.161
chemicalCompound:acdLogD	0.25
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	280.753
chemicalCompound:acdMostBpk...	8.29
chemicalCompound:chemblId	CHEMBL1743990
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222561
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:1062942, activity:1062943, activity:1062944, activity:1062945, activity:1062946, activity:1062947