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Murcko scaffold

Ring system with 5 rings and 32 atoms

39 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 32
Chemicals: 39
With full pages: 3

Scaffold SMILES

C(=Cc1ccc2ccccc2n1)c1cccc(C(CCc2ccccc2)SCC2CC2)c1

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 C(=Cc1ccc2ccccc2n1)c1cccc(C(CCc2ccccc2)SCC2CC2)c1

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 39 of 39 chemicals

Montelukast chemical structure, C35H36ClNO3S, CAS 158966-92-8

CAS 158966-92-8C₃₅H₃₆ClNO₃S

2-[1-[[1-[3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid chemical structure, C35H36ClNO3S, CAS 220927-26-4

2-[1-[[1-[3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

CAS 220927-26-4C₃₅H₃₆ClNO₃S

Montelukast, (S)- chemical structure, C35H36ClNO3S, CAS 220927-27-5

Montelukast, (S)-

CAS 220927-27-5C₃₅H₃₆ClNO₃S

2-((3R)-3-(((1-(Carboxymethyl)cyclopropyl)methyl)thio)-3-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)propyl)-alpha-hydroxy-alpha-methylbenzeneacetic acid chemical structure, C35H34ClNO5S, CAS 213380-27-9

2-((3R)-3-(((1-(Carboxymethyl)cyclopropyl)methyl)thio)-3-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)propyl)-alpha-hydroxy-alpha-methylbenzeneacetic acid

CAS 213380-27-9C₃₅H₃₄ClNO₅S

1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1,2-dihydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid chemical structure, C35H36ClNO4S, CAS 186352-97-6

1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1,2-dihydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid

CAS 186352-97-6C₃₅H₃₆ClNO₄S

2-Methoxymethyl montelukast 1,2-diol chemical structure, C37H40ClNO5S, CAS 184764-27-0

2-Methoxymethyl montelukast 1,2-diol

CAS 184764-27-0C₃₇H₄₀ClNO₅S

21(S)-hydroxy montelukast chemical structure, C35H36ClNO4S, CAS 184763-29-9

21(S)-hydroxy montelukast

CAS 184763-29-9C₃₅H₃₆ClNO₄S

2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast Hydrochloride chemical structure, C34H33Cl2NO4S, CAS 906107-37-7

2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast Hydrochloride

CAS 906107-37-7C₃₄H₃₃Cl₂NO₄S

2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy montelukast chemical structure, C34H32ClNO4S, CAS 851755-56-1

2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy montelukast

CAS 851755-56-1C₃₄H₃₂ClNO₄S

Methyl 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate chemical structure, C36H38ClNO3S, CAS 855473-51-7

Methyl 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate

CAS 855473-51-7C₃₆H₃₈ClNO₃S

1-((((1R,3R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxy-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid chemical structure, C35H36ClNO4S, CAS 184763-26-6

1-((((1R,3R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxy-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid

CAS 184763-26-6C₃₅H₃₆ClNO₄S

Montelukast nitrile chemical structure, C35H35ClN2OS, CAS 866923-62-8

Montelukast nitrile

CAS 866923-62-8C₃₅H₃₅ClN₂OS

Montelukast amide chemical structure, C35H37ClN2O2S, CAS 866923-63-9

Montelukast amide

CAS 866923-63-9C₃₅H₃₇ClN₂O₂S

RefChem:581133 chemical structure, C47H59ClN2O3S, CAS 577953-88-9

CAS 577953-88-9C₄₇H₅₉ClN₂O₃S

Montelukast methyl ketone chemical structure, C34H32ClNO3S, CAS 937275-23-5

Montelukast methyl ketone

CAS 937275-23-5C₃₄H₃₂ClNO₃S

Montelukast sodium chemical structure, C35H35ClNNaO3S, CAS 151767-02-1

Montelukast sodium

CAS 151767-02-1C₃₅H₃₅ClNNaO₃S

(R,E)-2-(1-(((1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid, ammonia salt chemical structure, C35H39ClN2O3S, CAS 1124196-02-6

(R,E)-2-(1-(((1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid, ammonia salt

CAS 1124196-02-6C₃₅H₃₉ClN₂O₃S

Montelukast-d6 chemical structure, C35H36ClNO3S, CAS 1093746-29-2

CAS 1093746-29-2C₃₅H₃₆ClNO₃S

Mometasone furoate/montelukast chemical structure, C62H66Cl3NO9S, CAS 1147405-14-8

Mometasone furoate/montelukast

CAS 1147405-14-8C₆₂H₆₆Cl₃NO₉S

Montelukast-d6 sodium salt chemical structure, C35H35ClNNaO3S, CAS 2673270-26-1

Montelukast-d6 sodium salt

CAS 2673270-26-1C₃₅H₃₅ClNNaO₃S

ent-Montelukast Sodium Salt chemical structure, C35H35ClNNaO3S, CAS 190078-45-6

ent-Montelukast Sodium Salt

CAS 190078-45-6C₃₅H₃₅ClNNaO₃S

Montelukast methylstyrene chemical structure, C35H34ClNO2S, CAS 918972-54-0

Montelukast methylstyrene

CAS 918972-54-0C₃₅H₃₄ClNO₂S

Montelukast ketocarbinol impurity (>90%) chemical structure, C34H32ClNO4S, CAS 2682015-83-2

Montelukast ketocarbinol impurity (>90%)

CAS 2682015-83-2C₃₄H₃₂ClNO₄S

Montelukast, cis- chemical structure, C35H36ClNO3S, CAS 774538-96-4

Montelukast, cis-

CAS 774538-96-4C₃₅H₃₆ClNO₃S