30195

Source:http://linkedlifedata.com/resource/chembl/compound/30195

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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/C25H25ClN2O6/c26-19-8-5-16(6-9-19)11-12-27-24(31)20-14-32-25(28-20)23-21(33-15-34-23)13-18-4-2-1-3-17(18)7-10-22(29)30/h1-6,8-9,14,21,23H,7,10-13,15H2,(H,27,31)(H,29,30)
chemicalCompound:standardIn...	MWQOKLJIUWWZJC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCc1ccccc1CC2OCOC2c3occ(n3)C(=O)NCCc4ccc(Cl)cc4
chemicalCompound:molecularF...	C25 H25 Cl N2 O6
chemicalCompound:moleculeId	30195
chemicalCompound:mwFreebase	484.929
chemicalCompound:alogp	3.789
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.89
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.671
chemicalCompound:acdLogP	2.165
chemicalCompound:acdLogD	-0.525
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	484.929
chemicalCompound:chemblId	CHEMBL23273
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:130195
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:674593, activity:674594, activity:688008, activity:688009, activity:711832, activity:711833