706038

Source:http://linkedlifedata.com/resource/chembl/compound/706038

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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:4672
chemicalCompound:standardIn...	InChI=1S/C15H20Cl2N2O3.C4H6O6/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2;5-1(3(7)8)2(6)4(9)10/h7,9,20H,3-6,8H2,1-2H3,(H,18,21);1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1
chemicalCompound:standardIn...	QULBVRZTKPQGCR-NDAAPVSOSA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2c(O)c(Cl)cc(Cl)c2OC.O[C@H]([C@@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C19H26Cl2N2O9
chemicalCompound:moleculeId	706038
chemicalCompound:mwFreebase	347.237
chemicalCompound:alogp	3.085
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	61.8
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.933
chemicalCompound:acdLogP	3.576
chemicalCompound:acdLogD	1.116
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	497.324
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL1257043
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:806038
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:3490161