169223

Source:http://linkedlifedata.com/resource/chembl/compound/169223

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/C31H36N6O2/c1-33-12-14-34(2)16-18-36-20-24(22-8-4-6-10-26(22)36)28-29(31(39)32-30(28)38)25-21-37(19-17-35(3)15-13-33)27-11-7-5-9-23(25)27/h4-11,20-21H,12-19H2,1-3H3,(H,32,38,39)
chemicalCompound:standardIn...	DQVPZOKGUAQGTM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c4cn(CCN(C)CC1)c5ccccc45)c6ccccc26
chemicalCompound:molecularF...	C31 H36 N6 O2
chemicalCompound:moleculeId	169223
chemicalCompound:mwFreebase	524.657
chemicalCompound:alogp	3.796
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	65.75
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.37
chemicalCompound:acdLogP	6.525
chemicalCompound:acdLogD	5.049
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	524.657
chemicalCompound:acdMostBpk...	7.712
chemicalCompound:chemblId	CHEMBL103628
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:269223
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:788143, activity:788144, activity:788145, activity:788146, activity:788147, activity:788148, activity:788149, activity:788150, activity:788151, activity:788152