231006

Source:http://linkedlifedata.com/resource/chembl/compound/231006

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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/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
chemicalCompound:standardIn...	RKPYSYRMIXRZJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc5cc(NC(=O)CCN6CCCC6)ccc25)cc1
chemicalCompound:molecularF...	C35H43N7O2
chemicalCompound:moleculeId	231006
chemicalCompound:mwFreebase	593.762
chemicalCompound:alogp	4.736
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	92.83
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.934
chemicalCompound:acdLogP	5.214
chemicalCompound:acdLogD	0.816
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	593.762
chemicalCompound:acdMostBpk...	10.894
chemicalCompound:chemblId	CHEMBL336434
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:331006
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:33534
chemicalCompound:activity	activity:673855, activity:673856, activity:673857, activity:673858, activity:673859, activity:1441048, activity:1441049, activity:1671127, activity:1671128, activity:1671153, activity:1671171, activity:2022072, activity:2022073, activity:2022074, activity:2022075, activity:2022076, activity:2150331, activity:2150332, activity:2150339, activity:2150343, activity:2150347, activity:2150357, activity:2582042, activity:2582058, activity:2582074, activity:2582090, activity:2582109, activity:2582122, activity:2582141, activity:2582160, activity:2582179, activity:2582198, activity:2582217, activity:2582221, activity:2582225, activity:2582229, activity:2582237, activity:2582239, activity:2582288, activity:2614474, activity:2614478, activity:2614481, activity:2614482, activity:2614483, activity:2614484, activity:2614485, activity:2614502, activity:2614503, activity:2634935, activity:2634938, activity:2634942, activity:2634946, activity:2634950, activity:2634954, activity:2634958, activity:2634962, activity:2634970, activity:2634979, activity:2911440, activity:2911504, activity:2911506, activity:2911507, activity:2911544, activity:3219145