903277

Source:http://linkedlifedata.com/resource/chembl/compound/903277

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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/C17H19Cl2N5O5S/c1-3-23(4-2)30(28,29)16-10-12(24(26)27)6-8-15(16)21-22-17(25)20-11-5-7-13(18)14(19)9-11/h5-10,21H,3-4H2,1-2H3,(H2,20,22,25)
chemicalCompound:standardIn...	DRWYFPNVEZDDOR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)S(=O)(=O)c1cc(ccc1NNC(=O)Nc2ccc(Cl)c(Cl)c2)[N+](=O)[O-]
chemicalCompound:molecularF...	C17H19Cl2N5O5S
chemicalCompound:moleculeId	903277
chemicalCompound:mwFreebase	476.334
chemicalCompound:alogp	3.582
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	144.73
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.782
chemicalCompound:acdLogP	4.794
chemicalCompound:acdLogD	4.787
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	476.334
chemicalCompound:chemblId	CHEMBL1479393
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1003277
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:3644533, activity:3824195, activity:3946738, activity:3954396, activity:3974898, activity:4007439, activity:4093114, activity:4106641, activity:4222802, activity:4291729, activity:4383733, activity:4398896, activity:4460322, activity:4513811, activity:4559362, activity:4896806, activity:4945964, activity:4952561, activity:5414626, activity:5491299, activity:5530181, activity:5775118, activity:5843907, activity:6471650, activity:6839999, activity:7259638, activity:7351856, activity:7359141, activity:7535990