569959

Source:http://linkedlifedata.com/resource/chembl/compound/569959

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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/C30H31ClN4O10S/c1-43-27-14-7-21(31)18-26(27)28(36)32-16-15-19-5-12-25(13-6-19)46(41,42)34-30(38)33-22-8-10-23(11-9-22)44-29(37)20-3-2-4-24(17-20)45-35(39)40/h2-7,12-14,17-18,22-23H,8-11,15-16H2,1H3,(H,32,36)(H2,33,34,38)/t22-,23-
chemicalCompound:standardIn...	HXHUPISWUDVJGM-YHBQERECSA-N
chemicalCompound:canonicalS...	COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@@H]3CC[C@H](CC3)OC(=O)c4cccc(O[N+](=O)[O-])c4
chemicalCompound:molecularF...	C30H31ClN4O10S
chemicalCompound:moleculeId	569959
chemicalCompound:mwFreebase	675.106
chemicalCompound:alogp	6.931
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	203.32
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.077
chemicalCompound:acdLogP	3.524
chemicalCompound:acdLogD	1.598
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	675.106
chemicalCompound:chemblId	CHEMBL573534
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669959
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:2915269, activity:2915270