474491

Source:http://linkedlifedata.com/resource/chembl/compound/474491

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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/C24H23Cl2NO5/c1-4-15(3)24(30)18-11-12-19(23(26)22(18)25)32-14-20(28)27-17-9-6-16(7-10-17)8-13-21(29)31-5-2/h6-13H,3-5,14H2,1-2H3,(H,27,28)/b13-8+
chemicalCompound:standardIn...	DILPLBQUCVDWEH-MDWZMJQESA-N
chemicalCompound:canonicalS...	CCOC(=O)\C=C\c1ccc(NC(=O)COc2ccc(C(=O)C(=C)CC)c(Cl)c2Cl)cc1
chemicalCompound:molecularF...	C24H23Cl2NO5
chemicalCompound:moleculeId	474491
chemicalCompound:mwFreebase	476.349
chemicalCompound:alogp	5.79
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	81.7
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.462
chemicalCompound:acdLogP	5.48
chemicalCompound:acdLogD	5.48
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	476.349
chemicalCompound:chemblId	CHEMBL479655
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:574491
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:2492447, activity:2492489