44

Source:http://linkedlifedata.com/resource/chembl/compound/44

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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/C35H44N6O6S/c1-22(2)18-29-34(46)38-25(15-17-48-3)31(43)36-21-30(42)37-27(19-23-10-6-4-7-11-23)32(44)40-28(20-24-12-8-5-9-13-24)33(45)39-26-14-16-41(29)35(26)47/h4-14,16,22,25-29H,15,17-21H2,1-3H3,(H,36,43)(H,37,42)(H,38,46)(H,39,45)(H,40,44)/t25-,26?,27-,28+,29+/m1/s1
chemicalCompound:standardIn...	GYZOWTXNXFMUOK-GRIBUZNISA-N
chemicalCompound:canonicalS...	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)CNC1=O)C2=O
chemicalCompound:molecularF...	C35 H44 N6 O6 S
chemicalCompound:moleculeId	44
chemicalCompound:mwFreebase	676.825
chemicalCompound:alogp	1.061
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	191.11
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.698
chemicalCompound:acdLogP	-0.444
chemicalCompound:acdLogD	-0.444
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	676.825
chemicalCompound:chemblId	CHEMBL6337
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100044
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:36046