583651

Source:http://linkedlifedata.com/resource/chembl/compound/583651

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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:583651_GNF-PF-427_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C30H37N5O4S2/c1-4-39-29(38)26-22-11-8-12-23(22)41-28(26)32-25(36)17-40-30-34-33-24(35(30)21-9-6-5-7-10-21)16-31-27(37)20-14-13-18(2)19(3)15-20/h13-15,21H,4-12,16-17H2,1-3H3,(H,31,37)(H,32,36)
chemicalCompound:standardIn...	HBFSBUPTXFDCQW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1c2CCCc2sc1NC(=O)CSc3nnc(CNC(=O)c4ccc(C)c(C)c4)n3C5CCCCC5
chemicalCompound:molecularF...	C30H37N5O4S2
chemicalCompound:moleculeId	583651
chemicalCompound:mwFreebase	595.776
chemicalCompound:alogp	5.852
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	168.75
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.212
chemicalCompound:acdLogP	4.297
chemicalCompound:acdLogD	4.297
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	595.776
chemicalCompound:acdMostBpk...	0.919
chemicalCompound:chemblId	CHEMBL602362
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:683651
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:3024101, activity:3027871, activity:3028735, activity:3045618, activity:6232889