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Murcko scaffold

Ring system with 5 rings and 36 atoms

10 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
36
Chemicals
10
With full pages
2
Scaffold SMILES

N=C(C(=O)NC1C(=O)N2C=C(C[N+]3(CCNC(=O)c4ccccc4)CCCC3)CSC12)c1cscn1

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 N=C(C(=O)NC1C(=O)N2C=C(C[N+]3(CCNC(=O)c4ccccc4)CCCC3)CSC12)c1cscn1

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 10 of 10 chemicals

7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-({1-[2-(2-chloro-3,4-dihydroxybenzamido)ethyl]pyrrolidinium-1-yl}methyl)-3,4-didehydrocepham-4-carboxylic acid chemical structure, C30H35ClN7O10S2+, CAS 2009350-93-8
7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-({1-[2-(2-chloro-3,4-dihydroxybenzamido)ethyl]pyrrolidinium-1-yl}methyl)-3,4-didehydrocepham-4-carboxylic acid
CAS 2009350-93-8C30H35ClN7O10S2+
Cefiderocol chemical structure, C30H34ClN7O10S2, CAS 1225208-94-5
Cefiderocol
CAS 1225208-94-5C30H34ClN7O10S2
Tris((6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid), 4-methylbenzenesulfonate, tris(4-methylbenzenesulfonic acid), sulfate chemical structure, C118H136Cl3N21O46S11
Tris((6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid), 4-methylbenzenesulfonate, tris(4-methylbenzenesulfonic acid), sulfate
C118H136Cl3N21O46S11
Cefiderocol sulfate tosylate chemical structure, C118H138Cl3N21O47S11, CAS 2135543-94-9
Cefiderocol sulfate tosylate
CAS 2135543-94-9C118H138Cl3N21O47S11
Cefiderocol ditosylate monohydrate chemical structure, C44H52ClN7O17S4, CAS 1883830-01-0
Cefiderocol ditosylate monohydrate
CAS 1883830-01-0C44H52ClN7O17S4
Sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C30H33ClN7NaO10S2, CAS 1627560-40-0
Sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS 1627560-40-0C30H33ClN7NaO10S2
Cefiderocol catechol 3-methoxy chemical structure, C31H36ClN7O10S2, CAS 2243393-93-1
Cefiderocol catechol 3-methoxy
CAS 2243393-93-1C31H36ClN7O10S2
Tris((6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid), 4-methylbenzenesulfonate, sulfate chemical structure, C97H112Cl3N21O37S8
Tris((6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid), 4-methylbenzenesulfonate, sulfate
C97H112Cl3N21O37S8
Cefiderocol sulfate tosylate anhydrous chemical structure, C118H136Cl3N21O46S11, CAS 2009350-94-9
Cefiderocol sulfate tosylate anhydrous
CAS 2009350-94-9C118H136Cl3N21O46S11
Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]-, 4-methylbenzenesulfonate sulfate, 4-methylbenzenesulfonate (3:1:1:3) chemical structure, C44H50ClN7O20S5-2
Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]-, 4-methylbenzenesulfonate sulfate, 4-methylbenzenesulfonate (3:1:1:3)
C44H50ClN7O20S5-2