40

Source:http://linkedlifedata.com/resource/chembl/compound/40

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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/C40H50N8O7S/c1-23(2)19-33-39(54)44-29(16-18-56-3)36(51)43-28(13-14-34(41)49)35(50)47-32(21-25-22-42-27-12-8-7-11-26(25)27)38(53)46-31(20-24-9-5-4-6-10-24)37(52)45-30-15-17-48(33)40(30)55/h4-12,15,17,22-23,28-33,42H,13-14,16,18-21H2,1-3H3,(H2,41,49)(H,43,51)(H,44,54)(H,45,52)(H,46,53)(H,47,50)/t28?,29-,30?,31+,32?,33+/m1/s1
chemicalCompound:standardIn...	SMJMIHPLRYWRMV-WVFPMSRGSA-N
chemicalCompound:canonicalS...	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)C(CCC(=O)N)NC1=O)C2=O
chemicalCompound:molecularF...	C40 H50 N8 O7 S
chemicalCompound:moleculeId	40
chemicalCompound:mwFreebase	786.939
chemicalCompound:alogp	0.913
chemicalCompound:hba	8
chemicalCompound:hbd	7
chemicalCompound:psa	249.98
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.42
chemicalCompound:acdLogP	-0.354
chemicalCompound:acdLogD	-0.353
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	786.939
chemicalCompound:chemblId	CHEMBL267356
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100040
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:38472