216420

Source:http://linkedlifedata.com/resource/chembl/compound/216420

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H22N4O/c1-16(2)17-7-9-18(10-8-17)21-19-5-3-4-6-20(19)22(27)26(24-21)14-13-25-12-11-23-15-25/h3-12,15-16H,13-14H2,1-2H3
chemicalCompound:standardIn...	GDHNFARVEVSHJD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc(cc1)C2=NN(CCn3ccnc3)C(=O)c4ccccc24
chemicalCompound:molecularF...	C22 H22 N4 O
chemicalCompound:moleculeId	216420
chemicalCompound:mwFreebase	358.436
chemicalCompound:alogp	3.64
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	50.49
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.872
chemicalCompound:acdLogD	3.788
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.436
chemicalCompound:acdMostBpk...	6.774
chemicalCompound:chemblId	CHEMBL131123
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:316420
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:148803, activity:148804, activity:148805, activity:148806