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L31

Summary
Name:3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol
Formula:C20 H20 N2 O2
Formal charge:0
Formula weight:320.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.021-[(1R)-1-(3-hydroxyphenyl)-6-methyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]ethanone
OpenEye OEToolkits1.6.11-[(1R)-1-(3-hydroxyphenyl)-6-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(N4CCc2c1cc(ccc1nc2C4c3cccc(O)c3)C)C
SMILES_CANONICALCACTVS3.352CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@H]1c4cccc(O)c4
SMILESCACTVS3.352CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[CH]1c4cccc(O)c4
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O
SMILESOpenEye OEToolkits1.7.0Cc1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)C)c4cccc(c4)O
InChIInChI1.03InChI=1S/C20H20N2O2/c1-12-6-7-18-17(10-12)16-8-9-22(13(2)23)20(19(16)21-18)14-4-3-5-15(24)11-14/h3-7,10-11,20-21,24H,8-9H2,1-2H3/t20-/m1/s1
InChIKeyInChI1.03ZNGGYWGHJZJJDR-HXUWFJFHSA-N

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PDB entries from 2026-02-04

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