168

Source:http://linkedlifedata.com/resource/chembl/compound/168

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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/C32H35ClN2O10/c1-39-24-13-19(14-25(40-2)28(24)43-5)30(36)34-11-12-35(21(17-34)18-45-32(38)22-9-7-8-10-23(22)33)31(37)20-15-26(41-3)29(44-6)27(16-20)42-4/h7-10,13-16,21H,11-12,17-18H2,1-6H3
chemicalCompound:standardIn...	YYOKEEFYTIKJOO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)c3ccccc3Cl)C2)C(=O)c4cc(OC)c(OC)c(OC)c4
chemicalCompound:molecularF...	C32 H35 Cl N2 O10
chemicalCompound:moleculeId	168
chemicalCompound:mwFreebase	643.081
chemicalCompound:alogp	4.223
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	122.3
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.952
chemicalCompound:acdLogD	2.952
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	643.081
chemicalCompound:chemblId	CHEMBL6203
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100168
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:33545, activity:33546, activity:40755, activity:40756, activity:69965, activity:69966