82967

Source:http://linkedlifedata.com/resource/chembl/compound/82967

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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/C26H32Cl4N4O4/c27-5-11-33(12-6-28)15-9-31-17-1-2-18(32-10-16-34(13-7-29)14-8-30)22-21(17)25(37)23-19(35)3-4-20(36)24(23)26(22)38/h1-4,31-32,35-36H,5-16H2
chemicalCompound:standardIn...	MNLIJBLRGSTQEO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(O)c2C(=O)c3c(NCCN(CCCl)CCCl)ccc(NCCN(CCCl)CCCl)c3C(=O)c12
chemicalCompound:molecularF...	C26 H32 Cl4 N4 O4
chemicalCompound:moleculeId	82967
chemicalCompound:mwFreebase	606.369
chemicalCompound:alogp	4.88
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	105.14
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.123
chemicalCompound:acdLogP	6.024
chemicalCompound:acdLogD	5.457
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	606.369
chemicalCompound:acdMostBpk...	6.071
chemicalCompound:chemblId	CHEMBL417917
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182967
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:660025, activity:660026, activity:660027, activity:660028, activity:660029, activity:660030, activity:660031