472223

Source:http://linkedlifedata.com/resource/chembl/compound/472223

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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/C26H36N6O4S/c1-2-24(33)30-21-7-4-8-22(17-21)37(35,36)31-23(16-19-5-3-6-20(15-19)25(28)29)26(34)32-13-10-18(9-12-27)11-14-32/h3-8,15,17-18,23,31H,2,9-14,16,27H2,1H3,(H3,28,29)(H,30,33)/t23-/m0/s1
chemicalCompound:standardIn...	CPCMZDILGQJEOE-QHCPKHFHSA-N
chemicalCompound:canonicalS...	CCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCC(CCN)CC3
chemicalCompound:molecularF...	C26H36N6O4S
chemicalCompound:moleculeId	472223
chemicalCompound:mwFreebase	528.667
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	179.85
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.123
chemicalCompound:acdLogP	-1.367
chemicalCompound:acdLogD	-5.397
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	528.667
chemicalCompound:acdMostBpk...	11.732
chemicalCompound:chemblId	CHEMBL461440
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:572223
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:2262691, activity:2262692, activity:2262693, activity:2262694, activity:2262695