188456

Source:http://linkedlifedata.com/resource/chembl/compound/188456

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:654074
chemicalCompound:standardIn...	InChI=1S/C22H26N2O3.HI/c25-20-9-10-21-18(16-20)11-14-24(21)13-5-3-1-2-4-6-15-27-22(26)19-8-7-12-23-17-19;/h7-12,14,16-17,25H,1-6,13,15H2;1H
chemicalCompound:standardIn...	RRPJGCVXICBDBP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	I.Oc1ccc2c(ccn2CCCCCCCCOC(=O)c3cccnc3)c1
chemicalCompound:molecularF...	C22H27IN2O3
chemicalCompound:moleculeId	188456
chemicalCompound:mwFreebase	366.453
chemicalCompound:alogp	4.908
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	64.35
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.08
chemicalCompound:acdLogP	4.825
chemicalCompound:acdLogD	4.825
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	494.366
chemicalCompound:acdMostBpk...	3.192
chemicalCompound:chemblId	CHEMBL114270
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288456
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:249771