1049849

Source:http://linkedlifedata.com/resource/chembl/compound/1049849

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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:1049553
chemicalCompound:standardIn...	InChI=1S/C32H41N4O6S.2ClH/c1-4-9-35-11-14-36(15-12-35,16-13-35)10-8-22-17-23-6-5-7-25-28(23)26(18-22)43(41,42)33(25)19-24-20(2)29-27(21(3)37)31(38)34(29)30(24)32(39)40;;/h5-7,17-18,20-21,27,29,37H,4,8-16,19H2,1-3H3;2*1H/q+1;;/p-1/t20-,21+,27+,29+,35?,36?;;/m0../s1
chemicalCompound:standardIn...	VJTNFKPDRNOUBB-KEXBORCYSA-M
chemicalCompound:canonicalS...	[Cl-].[Cl-].CCC[N+]12CC[N+](CCc3cc4c5c(cccc5c3)N(CC6=C(N7[C@H]([C@H]6C)[C@@H]([C@@H](C)O)C7=O)C(=O)O)S4(=O)=O)(CC1)CC2
chemicalCompound:molecularF...	C32H42Cl2N4O6S
chemicalCompound:moleculeId	1049849
chemicalCompound:mwFreebase	610.764
chemicalCompound:alogp	-0.805
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	123.6
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.31
chemicalCompound:acdLogP	-2.645
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	681.67
chemicalCompound:chemblId	CHEMBL1626958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1149849
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:649725, activity:649726, activity:649727, activity:649728, activity:649729, activity:649730