35

Source:http://linkedlifedata.com/resource/chembl/compound/35

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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/C42H53N9O8S/c1-24(2)19-34-41(58)47-30(16-18-60-3)37(54)45-23-36(53)46-29(13-14-35(43)52)38(55)50-33(21-26-22-44-28-12-8-7-11-27(26)28)40(57)49-32(20-25-9-5-4-6-10-25)39(56)48-31-15-17-51(34)42(31)59/h4-12,15,17,22,24,29-34,44H,13-14,16,18-21,23H2,1-3H3,(H2,43,52)(H,45,54)(H,46,53)(H,47,58)(H,48,56)(H,49,57)(H,50,55)/t29-,30+,31?,32-,33-,34-/m1/s1
chemicalCompound:standardIn...	JGYALLUJXUYSBB-YHWXHNPVSA-N
chemicalCompound:canonicalS...	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](CCC(=O)N)NC(=O)CNC1=O)C2=O
chemicalCompound:molecularF...	C42 H53 N9 O8 S
chemicalCompound:moleculeId	35
chemicalCompound:mwFreebase	843.991
chemicalCompound:alogp	-0.027
chemicalCompound:hba	9
chemicalCompound:hbd	8
chemicalCompound:psa	279.08
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.697
chemicalCompound:acdLogP	-1.595
chemicalCompound:acdLogD	-1.594
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	843.991
chemicalCompound:chemblId	CHEMBL268866
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100035
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:51943