Murcko scaffold
3H-Benzo[e]indole scaffold
31 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 13
- Chemicals
- 31
- With full pages
- 3
Scaffold SMILES
c1ccc2c(c1)ccc1[nH]ccc12
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold c1ccc2c(c1)ccc1[nH]ccc12](/scaffold/ALGIYXGLGIECNT-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 31 of 31 chemicals
![Ethyl 3H-benzo[e]indole-2-carboxylate chemical structure, C15H13NO2, CAS 52280-52-1](/s/MZNWVDAWTJDZLG-UHFFFAOYSA-N.svg)
Ethyl 3H-benzo[e]indole-2-carboxylate
CAS 52280-52-1C15H13NO2
![3H-Benzo[e]indole-2-carboxylic acid chemical structure, C13H9NO2, CAS 50536-72-6](/s/PZHFTOALJLZERX-UHFFFAOYSA-N.svg)
3H-Benzo[e]indole-2-carboxylic acid
CAS 50536-72-6C13H9NO2
![Methyl 3H-benz[e]indole-2-carboxylate chemical structure, C14H11NO2, CAS 55970-06-4](/s/UGJMOZWQIMQPKM-UHFFFAOYSA-N.svg)
Methyl 3H-benz[e]indole-2-carboxylate
CAS 55970-06-4C14H11NO2
![5-Methoxy-3H-benzo[e]indole-2-carboxylic acid chemical structure, C14H11NO3, CAS 887360-44-3](/s/SCZZYRMPWQXTEF-UHFFFAOYSA-N.svg)
5-Methoxy-3H-benzo[e]indole-2-carboxylic acid
CAS 887360-44-3C14H11NO3
![5-Ethoxy-3H-benzo[e]indole-2-carboxylic acid chemical structure, C15H13NO3, CAS 887360-68-1](/s/RSYHKVVJGBIYLK-UHFFFAOYSA-N.svg)
5-Ethoxy-3H-benzo[e]indole-2-carboxylic acid
CAS 887360-68-1C15H13NO3
![Methyl 5-methoxy-3H-benzo[e]indole-2-carboxylate chemical structure, C15H13NO3, CAS 887360-56-7](/s/PBAGLNZWBUWOGO-UHFFFAOYSA-N.svg)
Methyl 5-methoxy-3H-benzo[e]indole-2-carboxylate
CAS 887360-56-7C15H13NO3
![Methyl 5-ethoxy-3H-benzo[e]indole-2-carboxylate chemical structure, C16H15NO3, CAS 887360-74-9](/s/APTSMXTVWZVWIF-UHFFFAOYSA-N.svg)
Methyl 5-ethoxy-3H-benzo[e]indole-2-carboxylate
CAS 887360-74-9C16H15NO3
![5-Fluoro-3H-benzo[e]indole-2-carboxylic acid chemical structure, C13H8FNO2, CAS 900640-37-1](/s/ASYRCFYXAMRDOK-UHFFFAOYSA-N.svg)
5-Fluoro-3H-benzo[e]indole-2-carboxylic acid
CAS 900640-37-1C13H8FNO2
![Methyl 5-fluoro-3H-benzo[e]indole-2-carboxylate chemical structure, C14H10FNO2, CAS 887361-23-1](/s/VVHWLARJFBEGIH-UHFFFAOYSA-N.svg)
Methyl 5-fluoro-3H-benzo[e]indole-2-carboxylate
CAS 887361-23-1C14H10FNO2
![5-Methyl-3H-benzo[e]indole-2-carboxylic acid chemical structure, C14H11NO2, CAS 900136-39-2](/s/RDLGRUWIAZIABN-UHFFFAOYSA-N.svg)
5-Methyl-3H-benzo[e]indole-2-carboxylic acid
CAS 900136-39-2C14H11NO2
![Methyl 5-methyl-3H-benzo[e]indole-2-carboxylate chemical structure, C15H13NO2, CAS 910442-90-9](/s/UZZWVRSZDFWVDG-UHFFFAOYSA-N.svg)
Methyl 5-methyl-3H-benzo[e]indole-2-carboxylate
CAS 910442-90-9C15H13NO2
![5-Bromo-3H-benzo[e]indole-2-carboxylic acid chemical structure, C13H8BrNO2, CAS 900136-41-6](/s/DMWBHGGDWOTVLY-UHFFFAOYSA-N.svg)
5-Bromo-3H-benzo[e]indole-2-carboxylic acid
CAS 900136-41-6C13H8BrNO2
![3H-Benzo[e]indole chemical structure, C12H9N, CAS 232-84-8](/s/ALGIYXGLGIECNT-UHFFFAOYSA-N.svg)
3H-Benzo[e]indole
CAS 232-84-8C12H9N
![Ethyl 1-formyl-3H-benz[e]indole-2-carboxylate chemical structure, C16H13NO3, CAS 36820-79-8](/s/ZIRHIDVLAOAODB-UHFFFAOYSA-N.svg)
Ethyl 1-formyl-3H-benz[e]indole-2-carboxylate
CAS 36820-79-8C16H13NO3
![3H-Benzo[e]indole-1-carboxylic acid chemical structure, C13H9NO2, CAS 64090-54-6](/s/DUMWDZJJXCWQTK-UHFFFAOYSA-N.svg)
3H-Benzo[e]indole-1-carboxylic acid
CAS 64090-54-6C13H9NO2
![1,2-Dimethyl-3H-benzo[e]indole chemical structure, C14H13N, CAS 57582-31-7](/s/JLIDRDJNLAWIKT-UHFFFAOYSA-N.svg)
1,2-Dimethyl-3H-benzo[e]indole
CAS 57582-31-7C14H13N
![Ethyl 5-chloro-3H-benzo[E]indole-2-carboxylate chemical structure, C15H12ClNO2, CAS 95568-79-9](/s/XQDSMMXYCFRVEY-UHFFFAOYSA-N.svg)
Ethyl 5-chloro-3H-benzo[E]indole-2-carboxylate
CAS 95568-79-9C15H12ClNO2
![3-Methyl-3H-benz[e]indole-1-carboxaldehyde chemical structure, C14H11NO, CAS 57582-32-8](/s/HKBSSWMXOXQBGG-UHFFFAOYSA-N.svg)
3-Methyl-3H-benz[e]indole-1-carboxaldehyde
CAS 57582-32-8C14H11NO
![1,2,3-Trimethyl-3H-benzo[e]indole chemical structure, C15H15N, CAS 881219-73-4](/s/KQMROBBTYFXFOV-UHFFFAOYSA-N.svg)
1,2,3-Trimethyl-3H-benzo[e]indole
CAS 881219-73-4C15H15N
![1,2,3,3-Tetramethylbenzo[e]indol-3-ium chemical structure, C16H18N+, CAS 92570-01-9](/s/KLZHTUQDYMNXKU-UHFFFAOYSA-N.svg)
1,2,3,3-Tetramethylbenzo[e]indol-3-ium
CAS 92570-01-9C16H18N+
![1-Methyl-3H-benzo[E]indole-2-carbaldehyde chemical structure, C14H11NO, CAS 52280-32-7](/s/NWARWEPWBTYNNL-UHFFFAOYSA-N.svg)
1-Methyl-3H-benzo[E]indole-2-carbaldehyde
CAS 52280-32-7C14H11NO
![1-Butyl-2,3,3-trimethyl-3H-benzo[E]indol-3-ium perchlorate chemical structure, C19H24ClNO4, CAS 145038-06-8](/s/JNWRXOXJOCIKHX-UHFFFAOYSA-M.svg)
1-Butyl-2,3,3-trimethyl-3H-benzo[E]indol-3-ium perchlorate
CAS 145038-06-8C19H24ClNO4
![1-Butyl-2,3,3-trimethyl-3H-benzo[e]indol-3-ium chemical structure, C19H24N+](/s/VESJHAILSLENBT-UHFFFAOYSA-N.svg)
1-Butyl-2,3,3-trimethyl-3H-benzo[e]indol-3-ium
C19H24N+
![3H-Benzo[e]indol-1-ol chemical structure, C12H9NO, CAS 1823872-40-7](/s/CCFOHIPRHCTGSM-UHFFFAOYSA-N.svg)
3H-Benzo[e]indol-1-ol
CAS 1823872-40-7C12H9NO
- 3H-Benzo[e]indole-2-carboxamide2169187-70-4C13H10N2O
- 1-(6-Methyl-3H-benzo[e]indol-2-yl)ethanone400002-85-9C15H13NO
- (s)-2-Amino-3-(3H-benzo[e]indol-1-yl)propanoic acid1195641-76-9C15H14N2O2
- 3-(3H-Benzo[e]indol-1-yl)alanine152-87-4C15H14N2O2
- 2-Ethyl-1-methyl-3H-benzo[e]indole2550577-41-6C15H15N
- Indocyanine green impurity 392589435-65-2C15H15N
- 1,2-Diethyl-3H-benzo[e]indole2581870-51-9C16H17N
Related scaffolds
Same ring framework with different atoms or bond orders
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c1ccc2c(c1)ccc1occc1217 chemicals![Scaffold c1ccc2c(c1)ncc1nc[nH]c12](/scaffold/ITIRVXDSMXFTPW-UHFFFAOYSA-N/structure.svg)
c1ccc2c(c1)ncc1nc[nH]c1216 chemicals![Scaffold c1ccc2c(c1)ccc1cc[nH]c12](/scaffold/HIYWOHBEPVGIQN-UHFFFAOYSA-N/structure.svg)
c1ccc2c(c1)ccc1cc[nH]c1213 chemicals
O=c1ccc2ccc3occc3c2o113 chemicals![Scaffold O=c1[nH]c2nncn2c2ccccc12](/scaffold/LTJCKJVQPRZVDG-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c2nncn2c2ccccc1212 chemicals
c1ccc2c(c1)ccc1ccoc1210 chemicals![Scaffold O=c1[nH]c2n[nH]c(=S)n2c2ccccc12](/scaffold/FXVXSBUAKIHKJP-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c2n[nH]c(=S)n2c2ccccc129 chemicals
c1ccc2c3c(cnc2c1)CCO39 chemicals
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