197

Source:http://linkedlifedata.com/resource/chembl/compound/197

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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/C39H66N10O11/c1-20(2)15-27(45-33(54)22(5)41)37(58)47-29(17-24-10-12-25(52)13-11-24)36(57)43-23(6)34(55)49-31(19-51)39(60)44-26(9-7-8-14-40)35(56)46-28(16-21(3)4)38(59)48-30(18-50)32(42)53/h10-13,20-23,26-31,50-52H,7-9,14-19,40-41H2,1-6H3,(H2,42,53)(H,43,57)(H,44,60)(H,45,54)(H,46,56)(H,47,58)(H,48,59)(H,49,55)/t22-,23-,26-,27-,28-,29-,30-,31-/m0/s1
chemicalCompound:standardIn...	VWRQXSZGVCPPJA-LXPLJTSZSA-N
chemicalCompound:canonicalS...	CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N
chemicalCompound:molecularF...	C39 H66 N10 O11
chemicalCompound:moleculeId	197
chemicalCompound:mwFreebase	851.002
chemicalCompound:alogp	-2.58
chemicalCompound:hba	13
chemicalCompound:hbd	13
chemicalCompound:psa	359.52
chemicalCompound:rtb	27
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.822
chemicalCompound:acdLogP	-0.499
chemicalCompound:acdLogD	-4.205
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	851.002
chemicalCompound:acdMostBpk...	10.425
chemicalCompound:chemblId	CHEMBL448105
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100197
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:33305, activity:633783