1049788

Source:http://linkedlifedata.com/resource/chembl/compound/1049788

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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:1049664
chemicalCompound:standardIn...	InChI=1S/C31H37N5O7S.2ClH/c1-18-22(29(31(40)41)34-27(18)25(19(2)37)30(34)39)16-33-28-21(7-6-20-4-3-5-23(26(20)28)44(33,42)43)8-9-35-10-13-36(14-11-35,15-12-35)17-24(32)38;;/h3-7,18-19,25,27,37H,8-17H2,1-2H3,(H-2,32,38,40,41);2*1H/t18-,19+,25+,27+,35?,36?;;/m0../s1
chemicalCompound:standardIn...	XXLNVQOVJDFSNR-BVOUWIFFSA-N
chemicalCompound:canonicalS...	[Cl-].[Cl-].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)CN3c4c(CC[N+]56CC[N+](CC(=O)N)(CC5)CC6)ccc7cccc(c47)S3(=O)=O
chemicalCompound:molecularF...	C31H39Cl2N5O7S
chemicalCompound:moleculeId	1049788
chemicalCompound:mwFreebase	625.736
chemicalCompound:alogp	-2.824
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	166.69
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.3
chemicalCompound:acdLogP	-2.481
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	696.642
chemicalCompound:chemblId	CHEMBL1626897
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1149788
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:637645, activity:637646, activity:637647, activity:637648, activity:637649, activity:637650, activity:637651, activity:637652