130967

Source:http://linkedlifedata.com/resource/chembl/compound/130967

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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/C26H24Cl4O8/c1-3-13-9-10-26(4-2,25(35)15-6-8-17(23(30)21(15)28)37-12-19(33)34)38-24(13)14-5-7-16(22(29)20(14)27)36-11-18(31)32/h5-8H,3-4,9-12H2,1-2H3,(H,31,32)(H,33,34)
chemicalCompound:standardIn...	SMYPMBZGOORDNT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1=C(OC(CC)(CC1)C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)c3ccc(OCC(=O)O)c(Cl)c3Cl
chemicalCompound:molecularF...	C26 H24 Cl4 O8
chemicalCompound:moleculeId	130967
chemicalCompound:mwFreebase	606.276
chemicalCompound:alogp	7.233
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	119.36
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.791
chemicalCompound:acdLogP	5.184
chemicalCompound:acdLogD	0.434
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	606.276
chemicalCompound:chemblId	CHEMBL81799
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:230967
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:679197, activity:679198, activity:679199