207478

Source:http://linkedlifedata.com/resource/chembl/compound/207478

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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/C27H26ClN9O7S3/c1-27(2,24(42)43)44-35-17(14-8-32-25(31)47-14)20(38)34-18-21(39)37-19(23(40)41)11(9-45-22(18)37)10-46-26-33-15(29)7-16(30)36(26)13-5-3-12(28)4-6-13/h3-8,18,22H,9-10H2,1-2H3,(H8,29,30,31,32,34,35,38,40,41,42,43)/p+1
chemicalCompound:standardIn...	HQCIMCJXTWWXCK-UHFFFAOYSA-O
chemicalCompound:canonicalS...	CC(C)(O\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nc(N)cc(N)[n+]3c4ccc(Cl)cc4)\c5cnc(N)s5)C(=O)O
chemicalCompound:molecularF...	C27 H27 Cl N9 O7 S3
chemicalCompound:moleculeId	207478
chemicalCompound:mwFreebase	721.207
chemicalCompound:alogp	1.933
chemicalCompound:hba	15
chemicalCompound:hbd	6
chemicalCompound:psa	332.16
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.355
chemicalCompound:acdLogP	-2.01
chemicalCompound:acdLogD	-2.434
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	721.207
chemicalCompound:acdMostBpk...	2.337
chemicalCompound:chemblId	CHEMBL124978
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307478
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:1175043, activity:1175044, activity:1175045, activity:1175046, activity:1175047, activity:1175048, activity:1175049, activity:1175050, activity:1175051, activity:1175052, activity:1175053, activity:1175054