142003

Source:http://linkedlifedata.com/resource/chembl/compound/142003

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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/C36H62N8O11S2/c1-20(2)29(34(51)41-25(19-56)32(49)39-23(15-18-57-7)31(48)40-24(36(53)54)11-8-9-16-37)42-33(50)26-12-10-17-44(26)35(52)21(3)38-30(47)22(4)43(5)27(45)13-14-28(46)55-6/h20-26,29,56H,8-19,37H2,1-7H3,(H,38,47)(H,39,49)(H,40,48)(H,41,51)(H,42,50)(H,53,54)/t21-,22-,23-,24-,25-,26-,29-/m0/s1
chemicalCompound:standardIn...	APYYCAXGSQCQSE-ZDNRGLIHSA-N
chemicalCompound:canonicalS...	COC(=O)CCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)O
chemicalCompound:molecularF...	C36 H62 N8 O11 S2
chemicalCompound:moleculeId	142003
chemicalCompound:mwFreebase	847.055
chemicalCompound:alogp	-4.107
chemicalCompound:hba	14
chemicalCompound:hbd	8
chemicalCompound:psa	339.83
chemicalCompound:rtb	26
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.251
chemicalCompound:acdLogP	-0.363
chemicalCompound:acdLogD	-2.87
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	847.055
chemicalCompound:acdMostBpk...	10.597
chemicalCompound:chemblId	CHEMBL327226
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:242003
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:36071, activity:36072, activity:36073, activity:36074