208326

Source:http://linkedlifedata.com/resource/chembl/compound/208326

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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/C38H48N6O8S2/c1-21(2)27(33(47)39-5)43-35(49)31(51-19-23-7-11-25(12-8-23)37-41-15-17-53-37)29(45)30(46)32(36(50)44-28(22(3)4)34(48)40-6)52-20-24-9-13-26(14-10-24)38-42-16-18-54-38/h7-18,21-22,27-32,45-46H,19-20H2,1-6H3,(H,39,47)(H,40,48)(H,43,49)(H,44,50)/t27-,28-,29+,30+,31+,32+/m0/s1
chemicalCompound:standardIn...	XISQZIYLHTUXPS-VQKSECAYSA-N
chemicalCompound:canonicalS...	CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)c2nccs2)[C@H](O)[C@@H](O)[C@@H](OCc3ccc(cc3)c4nccs4)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C
chemicalCompound:molecularF...	C38 H48 N6 O8 S2
chemicalCompound:moleculeId	208326
chemicalCompound:mwFreebase	780.953
chemicalCompound:alogp	1.99
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	257.58
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.192
chemicalCompound:acdLogP	6.169
chemicalCompound:acdLogD	6.168
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	780.953
chemicalCompound:acdMostBpk...	2.536
chemicalCompound:chemblId	CHEMBL340116
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:308326
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:171068, activity:171069, activity:171070, activity:171071, activity:621903, activity:621904, activity:621905, activity:621906, activity:621907