14

Source:http://linkedlifedata.com/resource/chembl/compound/14

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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/C42H55N7O6S/c1-27(2)23-36-41(54)46-32(19-22-56-3)38(51)43-20-12-5-4-9-17-37(50)45-35(25-29-26-44-31-16-11-10-15-30(29)31)40(53)48-34(24-28-13-7-6-8-14-28)39(52)47-33-18-21-49(36)42(33)55/h6-8,10-11,13-16,18,21,26-27,32-36,44H,4-5,9,12,17,19-20,22-25H2,1-3H3,(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)/t32-,33?,34+,35-,36+/m1/s1
chemicalCompound:standardIn...	WJJUVGVTGRRHFV-FSTIPRKLSA-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)CCCCCCNC1=O)C2=O
chemicalCompound:molecularF...	C42 H55 N7 O6 S
chemicalCompound:moleculeId	14
chemicalCompound:mwFreebase	785.994
chemicalCompound:alogp	3.293
chemicalCompound:hba	7
chemicalCompound:hbd	6
chemicalCompound:psa	206.89
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.442
chemicalCompound:acdLogP	1.628
chemicalCompound:acdLogD	1.627
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	785.994
chemicalCompound:chemblId	CHEMBL266883
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100014
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:62194