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A1E5L

Summary
Name:Cebranopadol
Formula:C24 H27 F N2 O
Formal charge:0
Formula weight:378.482 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-fluoranyl-~{N},~{N}-dimethyl-1'-phenyl-spiro[4,9-dihydro-3~{H}-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3/t23-,24-
InChIKeyInChI1.06CSMVOZKEWSOFER-RQNOJGIXSA-N
SMILES_CANONICALCACTVS3.385CN(C)[C@]1(CC[C@@]2(CC1)OCCc3c2[nH]c4ccc(F)cc34)c5ccccc5
SMILESCACTVS3.385CN(C)[C]1(CC[C]2(CC1)OCCc3c2[nH]c4ccc(F)cc34)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C1(CCC2(CC1)c3c(c4cc(ccc4[nH]3)F)CCO2)c5ccccc5
SMILESOpenEye OEToolkits2.0.7CN(C)C1(CCC2(CC1)c3c(c4cc(ccc4[nH]3)F)CCO2)c5ccccc5

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PDB entries from 2026-07-01

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