Free for buyers, contact details stay privateFree for buyers. Your contact details stay private until you accept a quote.

Sign in Join free

Murcko scaffold

Ring system with 2 rings and 37 atoms

34 chemicals on CompoundList share this ring system.

Rings: 2
Scaffold atoms: 37
Chemicals: 34
With full pages: 5

Scaffold SMILES

O=C1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=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=C1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=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 34 of 34 chemicals

Polymyxin B nonapeptide chemical structure, C43H74N14O11, CAS 86408-36-8

Polymyxin B nonapeptide

CAS 86408-36-8C₄₃H₇₄N₁₄O₁₁

Deacylpolymyxin B chemical structure, C47H82N16O12, CAS 76014-40-9

Deacylpolymyxin B

CAS 76014-40-9C₄₇H₈₂N₁₆O₁₂

Polymyxin B octapeptide chemical structure, C39H67N13O9, CAS 142563-39-1

Polymyxin B octapeptide

CAS 142563-39-1C₃₉H₆₇N₁₃O₉

Octapeptin C1 chemical structure, C50H87N13O10, CAS 59217-95-7

CAS 59217-95-7C₅₀H₈₇N₁₃O₁₀

Sulfomyxin chemical structure, C53H92N16O13, CAS 1405-52-3

CAS 1405-52-3C₅₃H₉₂N₁₆O₁₃

Polymyxin chemical structure, C48H82N16O14, CAS 1406-11-7

CAS 1406-11-7C₄₈H₈₂N₁₆O₁₄

Polymyxin B heptapeptide chemical structure, C35H59N11O8, CAS 142563-40-4

Polymyxin B heptapeptide

CAS 142563-40-4C₃₅H₅₉N₁₁O₈

Polymyxin B1 chemical structure, C56H98N16O13, CAS 4135-11-9

CAS 4135-11-9C₅₆H₉₈N₁₆O₁₃

Orb1987031 chemical structure, C56H98N16O13, CAS 811435-10-6

CAS 811435-10-6C₅₆H₉₈N₁₆O₁₃

Polymyxin B2 chemical structure, C55H96N16O13, CAS 34503-87-2

CAS 34503-87-2C₅₅H₉₆N₁₆O₁₃

Polymyxin B3 chemical structure, C55H96N16O13, CAS 71140-58-4

CAS 71140-58-4C₅₅H₉₆N₁₆O₁₃

Polymyxin impurity 1 chemical structure, C56H98N16O14, CAS 343979-23-7

Polymyxin impurity 1

CAS 343979-23-7C₅₆H₉₈N₁₆O₁₄

Octapeptin A1 chemical structure, C52H91N13O10, CAS 50935-39-2

CAS 50935-39-2C₅₂H₉₁N₁₃O₁₀

Polymyxin B chemical structure, C56H98N16O13, CAS 1404-26-8

CAS 1404-26-8C₅₆H₉₈N₁₆O₁₃

Spr-741 chemical structure, C44H73N13O13, CAS 1179330-52-9

CAS 1179330-52-9C₄₄H₇₃N₁₃O₁₃

Statrol chemical structure, C78H146N22O34S2, CAS 51484-67-4

CAS 51484-67-4C₇₈H₁₄₆N₂₂O₃₄S₂

Dexamethasone, neomycin sulfate, polymyxin B sulfate chemical structure, C101H177FN22O39S2, CAS 78666-15-6

Dexamethasone, neomycin sulfate, polymyxin B sulfate

CAS 78666-15-6C₁₀₁H₁₇₇FN₂₂O₃₉S₂

N-[(2S)-4-Amino-1-[[(2S)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide, sulfuric acid, 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine chemical structure, C70H118N20O20S, CAS 103172-75-4

N-[(2S)-4-Amino-1-[[(2S)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide, sulfuric acid, 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

CAS 103172-75-4C₇₀H₁₁₈N₂₀O₂₀S

Hydrocortisone, neomycin sulfate, polymyxin B sulfate chemical structure, C102H180N22O40S2, CAS 8024-64-4

Hydrocortisone, neomycin sulfate, polymyxin B sulfate

CAS 8024-64-4C₁₀₂H₁₈₀N₂₂O₄₀S₂

Polymyxin B1 sulfate chemical structure, C56H100N16O17S, CAS 108965-61-3

Polymyxin B1 sulfate

CAS 108965-61-3C₅₆H₁₀₀N₁₆O₁₇S

(6S)-N-[(2S)-4-Amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide, pentahydrochloride chemical structure, C56H103Cl5N16O13, CAS 6883-64-3

(6S)-N-[(2S)-4-Amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide, pentahydrochloride

CAS 6883-64-3C₅₆H₁₀₃Cl₅N₁₆O₁₃

Polymyxin B2 sulfate chemical structure, C55H98N16O17S, CAS 108965-69-1

Polymyxin B2 sulfate

CAS 108965-69-1C₅₅H₉₈N₁₆O₁₇S

Octanoyl-Thr-Ser-DL-Dab(1)-Dab-D-Phe-DL-Leu-Dab-Dab-Thr-(1) chemical structure, C50H85N13O13, CAS 1006686-82-3

Octanoyl-Thr-Ser-DL-Dab(1)-Dab-D-Phe-DL-Leu-Dab-Dab-Thr-(1)

CAS 1006686-82-3C₅₀H₈₅N₁₃O₁₃

Polymyxin B1 Isoleucine (sulfate) chemical structure, C56H98N16O13, CAS 80469-10-9

Polymyxin B1 Isoleucine (sulfate)

CAS 80469-10-9C₅₆H₉₈N₁₆O₁₃