64

Source:http://linkedlifedata.com/resource/chembl/compound/64

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H25N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,26)/b9-8+
chemicalCompound:standardIn...	IKWCRLCFRBNCER-CMDGGOBGSA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccccc4
chemicalCompound:molecularF...	C23 H25 N5 O3
chemicalCompound:moleculeId	64
chemicalCompound:mwFreebase	419.476
chemicalCompound:alogp	2.56
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	93.81
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.599
chemicalCompound:acdLogD	2.538
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.476
chemicalCompound:acdMostBpk...	6.525
chemicalCompound:chemblId	CHEMBL268768
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100064
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:335051, activity:335052, activity:335053, activity:558104, activity:558105, activity:558106, activity:558107, activity:558108, activity:558109, activity:558110, activity:558111, activity:558112, activity:558113, activity:558114, activity:558115, activity:558116, activity:558117, activity:558118, activity:558119, activity:558120, activity:558121, activity:558122, activity:558123, activity:558124, activity:558125, activity:558126, activity:558127, activity:558128, activity:558129, activity:558130