203037

Source:http://linkedlifedata.com/resource/chembl/compound/203037

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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/C36H52N6O5S/c1-35(2,3)41-31(45)27-18-12-13-19-42(27)23-26(43)22-38-33(47)30-36(4,5)48-34(40-30)29(32(46)37-21-25-16-10-7-11-17-25)39-28(44)20-24-14-8-6-9-15-24/h6-11,14-17,26-27,29-30,34,40,43H,12-13,18-23H2,1-5H3,(H,37,46)(H,38,47)(H,39,44)(H,41,45)/t26-,27-,29?,30-,34+/m0/s1
chemicalCompound:standardIn...	XASVNPBDYWQQOB-NYRDMYNHSA-N
chemicalCompound:canonicalS...	CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)CNC(=O)[C@@H]2N[C@H](SC2(C)C)C(NC(=O)Cc3ccccc3)C(=O)NCc4ccccc4
chemicalCompound:molecularF...	C36 H52 N6 O5 S
chemicalCompound:moleculeId	203037
chemicalCompound:mwFreebase	680.9
chemicalCompound:alogp	2.535
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	177.19
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.904
chemicalCompound:acdLogP	6.809
chemicalCompound:acdLogD	6.615
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	680.9
chemicalCompound:acdMostBpk...	7.138
chemicalCompound:chemblId	CHEMBL273621
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:303037
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:401554