494589

Source:http://linkedlifedata.com/resource/chembl/compound/494589

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:494589_ARC-1014_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C32H36N8O7/c33-28-23-30(37-16-36-28)40(17-38-23)32-26(44)25(43)27(47-32)31(46)35-14-6-2-5-9-22(41)39-21(29(34)45)15-18-10-12-20(13-11-18)24(42)19-7-3-1-4-8-19/h1,3-4,7-8,10-13,16-17,21,25-27,32,43-44H,2,5-6,9,14-15H2,(H2,34,45)(H,35,46)(H,39,41)(H2,33,36,37)/t21-,25+,26-,27+,32-/m1/s1
chemicalCompound:standardIn...	CZIYSJFBJRVVDO-OVXYZHGRSA-N
chemicalCompound:canonicalS...	NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)CCCCCNC(=O)[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45
chemicalCompound:molecularF...	C32H36N8O7
chemicalCompound:moleculeId	494589
chemicalCompound:mwFreebase	644.678
chemicalCompound:alogp	0.665
chemicalCompound:hba	11
chemicalCompound:hbd	6
chemicalCompound:psa	237.67
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.882
chemicalCompound:acdLogP	2.007
chemicalCompound:acdLogD	2.006
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	644.678
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL454225
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:594589
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:2250988