167248

Source:http://linkedlifedata.com/resource/chembl/compound/167248

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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/C23H27N5O/c1-16(19-3-5-20(24)6-4-19)13-23(29)27-11-8-18(9-12-27)15-28-17(2)26-21-14-25-10-7-22(21)28/h3-7,10,13-14,18H,8-9,11-12,15,24H2,1-2H3/b16-13+
chemicalCompound:standardIn...	PZFIOICDFSPGAY-DTQAZKPQSA-N
chemicalCompound:canonicalS...	C\C(=C/C(=O)N1CCC(Cn2c(C)nc3cnccc23)CC1)\c4ccc(N)cc4
chemicalCompound:molecularF...	C23 H27 N5 O
chemicalCompound:moleculeId	167248
chemicalCompound:mwFreebase	389.493
chemicalCompound:alogp	2.442
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	77.04
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.519
chemicalCompound:acdLogD	2.441
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	389.493
chemicalCompound:acdMostBpk...	6.629
chemicalCompound:chemblId	CHEMBL320862
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267248
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:1226321, activity:1226322