551826

Source:http://linkedlifedata.com/resource/chembl/compound/551826

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:663407
chemicalCompound:standardIn...	InChI=1S/C24H28Cl2N2O7S2.ClH/c1-14(2)15-7-6-8-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)9-10-18(22(21)26)37(33,34)28(5)12-11-27(3)4;/h6-10,14,19H,11-13H2,1-5H3;1H
chemicalCompound:standardIn...	HWGUTEMBMQZAAW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)c1cccc2c1C(=O)C(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O
chemicalCompound:molecularF...	C24H29Cl3N2O7S2
chemicalCompound:moleculeId	551826
chemicalCompound:mwFreebase	591.524
chemicalCompound:alogp	4.2
chemicalCompound:hba	8
chemicalCompound:hbd	0
chemicalCompound:psa	134.89
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.034
chemicalCompound:acdLogD	1.881
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	627.985
chemicalCompound:acdMostBpk...	8.526
chemicalCompound:chemblId	CHEMBL538776
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:651826
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:68655, activity:68656, activity:68657, activity:68658, activity:68659