296179

Source:http://linkedlifedata.com/resource/chembl/compound/296179

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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:408842
chemicalCompound:standardIn...	InChI=1S/C22H23ClN6O.K.H2O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22;;/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28);;1H2/q;+1;/p-1
chemicalCompound:standardIn...	BOXLCNYKQAJDCL-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[OH-].[K+].CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4
chemicalCompound:molecularF...	C22 H23 Cl N6 O . K . H O
chemicalCompound:moleculeId	296179
chemicalCompound:mwFreebase	422.911
chemicalCompound:alogp	4.681
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	92.51
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.234
chemicalCompound:acdLogP	4.364
chemicalCompound:acdLogD	2.393
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	479.016
chemicalCompound:acdMostBpk...	4.354
chemicalCompound:chemblId	CHEMBL367465
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:396179
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:403980, activity:403981, activity:403982