400083

Source:http://linkedlifedata.com/resource/chembl/compound/400083

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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/C26H29ClN6O3/c27-17-6-9-24(30-15-17)32-25(34)20-4-1-2-5-22(20)31-26(35)21-8-7-19(33-12-10-18(29)16-33)14-23(21)36-13-3-11-28/h1-2,4-9,14-15,18H,3,10-13,16,28-29H2,(H,31,35)(H,30,32,34)/t18-/m1/s1
chemicalCompound:standardIn...	SAKSJPVESXDHJE-GOSISDBHSA-N
chemicalCompound:canonicalS...	NCCCOc1cc(ccc1C(=O)Nc2ccccc2C(=O)Nc3ccc(Cl)cn3)N4CC[C@@H](N)C4
chemicalCompound:molecularF...	C26 H29 Cl N6 O3
chemicalCompound:moleculeId	400083
chemicalCompound:mwFreebase	509
chemicalCompound:alogp	1.912
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	135.6
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.874
chemicalCompound:acdLogP	3.242
chemicalCompound:acdLogD	-0.554
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	509
chemicalCompound:acdMostBpk...	9.555
chemicalCompound:chemblId	CHEMBL235823
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:500083
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:1979328, activity:1979441, activity:1979448, activity:1979455