682625

Source:http://linkedlifedata.com/resource/chembl/compound/682625

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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/C29H33ClN2O5/c1-29(2,3)19-17-23(30)27(35-4)24(18-19)31-28(34)26(33)22-9-10-25(21-8-6-5-7-20(21)22)37-16-13-32-11-14-36-15-12-32/h5-10,17-18H,11-16H2,1-4H3,(H,31,34)
chemicalCompound:standardIn...	JQUTUFUVQNZOGP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1c(Cl)cc(cc1NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c4ccccc24)C(C)(C)C
chemicalCompound:molecularF...	C29H33ClN2O5
chemicalCompound:moleculeId	682625
chemicalCompound:mwFreebase	525.036
chemicalCompound:alogp	5.267
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	77.1
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.032
chemicalCompound:acdLogP	5.304
chemicalCompound:acdLogD	5.262
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	525.036
chemicalCompound:acdMostBpk...	6.291
chemicalCompound:chemblId	CHEMBL1208828
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:782625
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:3383676