19

Source:http://linkedlifedata.com/resource/chembl/compound/19

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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/C36H46N6O6S/c1-22(2)19-30-35(47)38-26(16-18-49-4)32(44)37-23(3)31(43)40-28(20-24-11-7-5-8-12-24)34(46)41-29(21-25-13-9-6-10-14-25)33(45)39-27-15-17-42(30)36(27)48/h5-15,17,22-23,26-30H,16,18-21H2,1-4H3,(H,37,44)(H,38,47)(H,39,45)(H,40,43)(H,41,46)/t23?,26-,27?,28-,29+,30+/m1/s1
chemicalCompound:standardIn...	SMUMTHFOZMECNI-VHPCNNPOSA-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)C(C)NC1=O)C2=O
chemicalCompound:molecularF...	C36 H46 N6 O6 S
chemicalCompound:moleculeId	19
chemicalCompound:mwFreebase	690.852
chemicalCompound:alogp	1.545
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	191.11
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.704
chemicalCompound:acdLogP	0.092
chemicalCompound:acdLogD	0.092
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	690.852
chemicalCompound:chemblId	CHEMBL6333
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100019
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:55755