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Murcko scaffold

Ring system with 3 rings and 23 atoms

20 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 23
Chemicals: 20
With full pages: 6

Scaffold SMILES

O=C(CNS(=O)(=O)c1cccc2c1NCCC2)N1CCCCC1

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=C(CNS(=O)(=O)c1cccc2c1NCCC2)N1CCCCC1

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 20 of 20 chemicals

1-[5-Carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid chemical structure, C23H36N6O5S, CAS 183679-05-2

1-[5-Carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid

CAS 183679-05-2C₂₃H₃₆N₆O₅S

Argatroban (USAN:INN:BAN:JAN) chemical structure, C23H38N6O6S, CAS 141396-28-3

Argatroban (USAN:INN:BAN:JAN)

CAS 141396-28-3C₂₃H₃₈N₆O₆S

Argatroban chemical structure, C23H36N6O5S, CAS 74863-84-6

CAS 74863-84-6C₂₃H₃₆N₆O₅S

Argatroban anhydrous, (21R)- chemical structure, C23H36N6O5S, CAS 121785-71-5

Argatroban anhydrous, (21R)-

CAS 121785-71-5C₂₃H₃₆N₆O₅S

Argatroban anhydrous, (21S)- chemical structure, C23H36N6O5S, CAS 121785-72-6

Argatroban anhydrous, (21S)-

CAS 121785-72-6C₂₃H₃₆N₆O₅S

[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Methyl Ester-d5 chemical structure, C23H36N6O5S, CAS 1276499-54-7

[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Methyl Ester-d5

CAS 1276499-54-7C₂₃H₃₆N₆O₅S

(2S,4R)-4-Methyl-1-(((3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylicacid chemical structure, C23H36N6O5S, CAS 189264-02-6

(2S,4R)-4-Methyl-1-(((3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylicacid

CAS 189264-02-6C₂₃H₃₆N₆O₅S

(2R,4R)-1-[(2S)-5-Carbamimidamido-2-[(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido]pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate chemical structure, C23H38N6O6S, CAS 1050351-64-8

(2R,4R)-1-[(2S)-5-Carbamimidamido-2-[(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido]pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate

CAS 1050351-64-8C₂₃H₃₈N₆O₆S

(2S,4S)-Argatroban chemical structure, C23H36N6O5S

(2S,4S)-Argatroban

C₂₃H₃₆N₆O₅S

Argatroban-d3 chemical structure, C23H36N6O5S, CAS 1356847-56-7

CAS 1356847-56-7C₂₃H₃₆N₆O₅S

Argatroban, 21R- chemical structure, C23H38N6O6S, CAS 1379603-43-6

Argatroban, 21R-

CAS 1379603-43-6C₂₃H₃₈N₆O₆S

(2S,4S)-4-Methyl-1-(((3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid chemical structure, C23H36N6O5S, CAS 189264-03-7

(2S,4S)-4-Methyl-1-(((3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid

CAS 189264-03-7C₂₃H₃₆N₆O₅S

(2R,4R)-1-(((1-Hydroxy-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)-4-methylpiperidine-2-carboxylic acid chemical structure, C23H36N6O6S, CAS 107946-30-5

(2R,4R)-1-(((1-Hydroxy-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)-4-methylpiperidine-2-carboxylic acid

CAS 107946-30-5C₂₃H₃₆N₆O₆S

Ethyl (2R,4R)-1-[(2R)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylate chemical structure, C25H40N6O5S, CAS 1628859-52-8

Ethyl (2R,4R)-1-[(2R)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylate

CAS 1628859-52-8C₂₅H₄₀N₆O₅S

(2R,4S)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid chemical structure, C23H36N6O5S, CAS 189264-04-8

(2R,4S)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid

CAS 189264-04-8C₂₃H₃₆N₆O₅S

Argatroban nitroamino chemical structure, C23H35N7O7S, CAS 1448301-07-2

Argatroban nitroamino

CAS 1448301-07-2C₂₃H₃₅N₇O₇S

(2R,4R)-1-((2S)-5-Amino-2-((3-methyl-1,2,3,4-tetrahydroquinoline)-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid chemical structure, C22H34N4O5S, CAS 188659-43-0

(2R,4R)-1-((2S)-5-Amino-2-((3-methyl-1,2,3,4-tetrahydroquinoline)-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid

CAS 188659-43-0C₂₂H₃₄N₄O₅S

(2R,4S)-4-Methyl-1-((((S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid chemical structure, C23H36N6O5S, CAS 446063-74-7

(2R,4S)-4-Methyl-1-((((S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid

CAS 446063-74-7C₂₃H₃₆N₆O₅S

Argatroban ethyl ester chemical structure, C25H40N6O5S, CAS 2739760-40-6

Argatroban ethyl ester

CAS 2739760-40-6C₂₅H₄₀N₆O₅S

(2R,4R)-4-Methyl-1-((2S)-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)-5-ureidopentanoyl)piperidine-2-carboxylic acid chemical structure, C23H35N5O6S, CAS 2423016-01-5

(2R,4R)-4-Methyl-1-((2S)-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)-5-ureidopentanoyl)piperidine-2-carboxylic acid

CAS 2423016-01-5C₂₃H₃₅N₅O₆S