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A1EQO

Summary
Name:Cemsidomide
Synonyms:(3~{S})-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxidanylidene-benzo[cd]indol-1-yl]piperidine-2,6-dione
Formula:C28 H27 N3 O4
Formal charge:0
Formula weight:469.532 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{S})-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxidanylidene-benzo[cd]indol-1-yl]piperidine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H27N3O4/c32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30/h1-9,24H,10-17H2,(H,29,32,33)/t24-/m0/s1
InChIKeyInChI1.06MUKCJOOKCZSQNW-DEOSSOPVSA-N
SMILES_CANONICALCACTVS3.385O=C1CC[C@H](N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1
SMILESCACTVS3.385O=C1CC[CH](N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(ccc3c2c(c1)C(=O)N3[C@H]4CCC(=O)NC4=O)Cc5ccc(cc5)CN6CCOCC6
SMILESOpenEye OEToolkits2.0.7c1cc2c(ccc3c2c(c1)C(=O)N3C4CCC(=O)NC4=O)Cc5ccc(cc5)CN6CCOCC6

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PDB entries from 2026-06-17

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