424145

Source:http://linkedlifedata.com/resource/chembl/compound/424145

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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/C23H27ClN6O6/c1-23(33)17(31)15(11-35-22(32)25-9-13-5-3-2-4-6-13)36-20(23)30-12-26-16-18(27-14-7-8-34-10-14)28-21(24)29-19(16)30/h2-6,12,14-15,17,20,31,33H,7-11H2,1H3,(H,25,32)(H,27,28,29)/t14-,15-,17-,20-,23-/m1/s1
chemicalCompound:standardIn...	VLTANQSLGSJYEI-KOZJHOLOSA-N
chemicalCompound:canonicalS...	C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n3cnc4c(N[C@@H]5CCOC5)nc(Cl)nc34
chemicalCompound:molecularF...	C23 H27 Cl N6 O6
chemicalCompound:moleculeId	424145
chemicalCompound:mwFreebase	518.95
chemicalCompound:alogp	1
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	152.88
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.553
chemicalCompound:acdLogP	1.499
chemicalCompound:acdLogD	1.498
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	518.95
chemicalCompound:acdMostBpk...	0.149
chemicalCompound:chemblId	CHEMBL254898
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:524145
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:2070708, activity:2070740, activity:2070787, activity:2070801