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Murcko scaffold

Ring system with 2 rings and 27 atoms

44 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
27
Chemicals
44
With full pages
4
Scaffold SMILES

O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CN1

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.

Substructure search with this scaffold
Murcko scaffold O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CN1

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 44 of 44 chemicals

Cilengitide chemical structure, C27H40N8O7, CAS 188968-51-6
Cilengitide
CAS 188968-51-6C27H40N8O7
Cyclorgdfv chemical structure, C26H38N8O7, CAS 137813-35-5
Cyclorgdfv
CAS 137813-35-5C26H38N8O7
Plastin D chemical structure, C32H52N8O5, CAS 174689-44-2
Plastin D
CAS 174689-44-2C32H52N8O5
2-((2S,5R,8S,11S)-8-(4-Aminobutyl)-5-benzyl-11-(3-(diaminomethylideneamino)propyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl)acetic acid chemical structure, C27H41N9O7, CAS 161552-03-0
2-((2S,5R,8S,11S)-8-(4-Aminobutyl)-5-benzyl-11-(3-(diaminomethylideneamino)propyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl)acetic acid
CAS 161552-03-0C27H41N9O7
cyclo(-D-Val-L-Leu-D-alloIle-L-Phe-D-Arg-) chemical structure, C32H52N8O5, CAS 174689-43-1
cyclo(-D-Val-L-Leu-D-alloIle-L-Phe-D-Arg-)
CAS 174689-43-1C32H52N8O5
Segetalin G chemical structure, C25H38N6O6, CAS 183735-03-7
Segetalin G
CAS 183735-03-7C25H38N6O6
cyclo(Arg-Ala-Asp-D-Phe-Val) chemical structure, C27H40N8O7, CAS 137813-36-6
cyclo(Arg-Ala-Asp-D-Phe-Val)
CAS 137813-36-6C27H40N8O7
Plastin B chemical structure, C32H52N8O6, CAS 174689-42-0
Plastin B
CAS 174689-42-0C32H52N8O6
cyclo[Arg-Gly-Asp-D-Tyr-Lys] chemical structure, C27H41N9O8, CAS 217099-14-4
cyclo[Arg-Gly-Asp-D-Tyr-Lys]
CAS 217099-14-4C27H41N9O8
cyclo(Arg-Gly-Asp-D-Phe-Cys) chemical structure, C24H34N8O7S, CAS 862772-11-0
cyclo(Arg-Gly-Asp-D-Phe-Cys)
CAS 862772-11-0C24H34N8O7S
C[Rgdfk(N3)].tfa chemical structure, C29H40F3N11O9, CAS 936125-31-4
C[Rgdfk(N3)].tfa
CAS 936125-31-4C29H40F3N11O9
2-[(2S,5R,8S,11S)-8-(4-Azidobutyl)-5-benzyl-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid chemical structure, C27H39N11O7, CAS 868845-09-4
2-[(2S,5R,8S,11S)-8-(4-Azidobutyl)-5-benzyl-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
CAS 868845-09-4C27H39N11O7
Cyclo(-Arg-Ala-Asp-D-Phe-Val) chemical structure, C27H40N8O7
Cyclo(-Arg-Ala-Asp-D-Phe-Val)
C27H40N8O7
Cyclo(RGDfC) chemical structure, C24H34N8O7S
Cyclo(RGDfC)
C24H34N8O7S
Cyclo(RADfK) chemical structure, C28H43N9O7, CAS 756500-23-9
Cyclo(RADfK)
CAS 756500-23-9C28H43N9O7
Cyclo(Arg-Gly-Asp-(D-Phe)-Glu) chemical structure, C26H36N8O9, CAS 756500-22-8
Cyclo(Arg-Gly-Asp-(D-Phe)-Glu)
CAS 756500-22-8C26H36N8O9
Cyclo(RGDyC) chemical structure, C24H34N8O8S, CAS 1206475-79-7
Cyclo(RGDyC)
CAS 1206475-79-7C24H34N8O8S
Cilengitide hydrochloride chemical structure, C27H41ClN8O7, CAS 188969-00-8
Cilengitide hydrochloride
CAS 188969-00-8C27H41ClN8O7
cyclo[DL-Ala-DL-Asp-DL-Phe-DL-Lys-DL-Arg] chemical structure, C28H43N9O7
cyclo[DL-Ala-DL-Asp-DL-Phe-DL-Lys-DL-Arg]
C28H43N9O7
cyclo[DL-Arg-DL-Val-DL-Leu-DL-xiIle-DL-Tyr] chemical structure, C32H52N8O6, CAS 174689-41-9
cyclo[DL-Arg-DL-Val-DL-Leu-DL-xiIle-DL-Tyr]
CAS 174689-41-9C32H52N8O6
Cyclo(-RGDfK) Trifluoroacetate chemical structure, C29H42F3N9O9, CAS 500577-51-5
Cyclo(-RGDfK) Trifluoroacetate
CAS 500577-51-5C29H42F3N9O9
Cilengitide methanesulfonate chemical structure, C28H44N8O10S, CAS 199807-38-0
Cilengitide methanesulfonate
CAS 199807-38-0C28H44N8O10S
Cyclo(-Arg-Gly-Asp-D-Phe-Cys) chemical structure, C24H34N8O7S
Cyclo(-Arg-Gly-Asp-D-Phe-Cys)
C24H34N8O7S
Cyclo(-Arg-Ala-Asp-D-Phe-Lys) chemical structure, C28H43N9O7
Cyclo(-Arg-Ala-Asp-D-Phe-Lys)
C28H43N9O7