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Murcko scaffold

Ring system with 4 rings and 28 atoms

31 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 28
Chemicals: 31
With full pages: 4

Scaffold SMILES

O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1

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(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1

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 31 of 31 chemicals

Mozavaptan chemical structure, C27H29N3O2, CAS 137975-06-5

CAS 137975-06-5C₂₇H₂₉N₃O₂

Tolvaptan chemical structure, C26H25ClN2O3, CAS 150683-30-0

CAS 150683-30-0C₂₆H₂₅ClN₂O₃

Samsca chemical structure, C26H25ClN2O3, CAS 331947-66-1

CAS 331947-66-1C₂₆H₂₅ClN₂O₃

Mozavaptan hydrochloride chemical structure, C27H30ClN3O2, CAS 138470-70-9

Mozavaptan hydrochloride

CAS 138470-70-9C₂₇H₃₀ClN₃O₂

Tolvaptan, (S)- chemical structure, C26H25ClN2O3, CAS 331947-44-5

Tolvaptan, (S)-

CAS 331947-44-5C₂₆H₂₅ClN₂O₃

Mozavaptan, (S)- chemical structure, C27H29N3O2, CAS 157378-41-1

Mozavaptan, (S)-

CAS 157378-41-1C₂₇H₂₉N₃O₂

[7-Chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] dihydrogen phosphate chemical structure, C26H26ClN2O6P, CAS 942619-74-1

[7-Chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] dihydrogen phosphate

CAS 942619-74-1C₂₆H₂₆ClN₂O₆P

N-(4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)-2-methylbenzamide chemical structure, C25H23ClN2O3, CAS 150683-27-5

N-(4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)-2-methylbenzamide

CAS 150683-27-5C₂₅H₂₃ClN₂O₃

Mozavaptan, (R)- chemical structure, C27H29N3O2, CAS 157378-42-2

Mozavaptan, (R)-

CAS 157378-42-2C₂₇H₂₉N₃O₂

Tolvaptan-d7 chemical structure, C26H25ClN2O3, CAS 1246818-18-7

CAS 1246818-18-7C₂₆H₂₅ClN₂O₃

[7-Chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy-hydroxy-oxophosphanium chemical structure, C26H25ClN2O5P+, CAS 942619-93-4

[7-Chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy-hydroxy-oxophosphanium

CAS 942619-93-4C₂₆H₂₅ClN₂O₅P+

7-Chloro-1-(2-methyl-4-(2-methylbenzamido)benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl dimethyl phosphate chemical structure, C28H30ClN2O6P, CAS 1114219-87-2

7-Chloro-1-(2-methyl-4-(2-methylbenzamido)benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl dimethyl phosphate

CAS 1114219-87-2C₂₈H₃₀ClN₂O₆P

7-Chloro-1-(2-methyl-4-(2-methylbenzamido)benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl methyl hydrogen phosphate chemical structure, C27H28ClN2O6P, CAS 942619-88-7

7-Chloro-1-(2-methyl-4-(2-methylbenzamido)benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl methyl hydrogen phosphate

CAS 942619-88-7C₂₇H₂₈ClN₂O₆P

N-(4-(7-Chloro-5-methoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide chemical structure, C27H27ClN2O3, CAS 150683-52-6

N-(4-(7-Chloro-5-methoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide

CAS 150683-52-6C₂₇H₂₇ClN₂O₃

2-Desmethyl-4-methyl Tolvaptan chemical structure, C26H25ClN2O3, CAS 1580889-25-3

2-Desmethyl-4-methyl Tolvaptan

CAS 1580889-25-3C₂₆H₂₅ClN₂O₃

L2J9RV9Tps chemical structure, C26H25ClN2O3, CAS 1580889-27-5

CAS 1580889-27-5C₂₆H₂₅ClN₂O₃

N-(4-(5-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide chemical structure, C26H26N2O3, CAS 1432725-23-9

N-(4-(5-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide

CAS 1432725-23-9C₂₆H₂₆N₂O₃

Tolvaptan impurity 7 chemical structure, C25H23ClN2O3, CAS 1580889-33-3

Tolvaptan impurity 7

CAS 1580889-33-3C₂₅H₂₃ClN₂O₃

Mozavaptan hydrochloride, (S)- chemical structure, C27H30ClN3O2, CAS 138470-69-6

Mozavaptan hydrochloride, (S)-

CAS 138470-69-6C₂₇H₃₀ClN₃O₂

Mozavaptan hydrochloride, (R)- chemical structure, C27H30ClN3O2, CAS 138470-68-5

Mozavaptan hydrochloride, (R)-

CAS 138470-68-5C₂₇H₃₀ClN₃O₂

Tolvaptan metabolite DM-4110 chemical structure, C26H25ClN2O4, CAS 926035-34-9

Tolvaptan metabolite DM-4110

CAS 926035-34-9C₂₆H₂₅ClN₂O₄

Tolvaptan metabolite DM-4111 chemical structure, C26H25ClN2O4, CAS 926035-36-1

Tolvaptan metabolite DM-4111

CAS 926035-36-1C₂₆H₂₅ClN₂O₄

4-Hydroxy tolvaptan (mixture of diastereomers) chemical structure, C26H25ClN2O4, CAS 1587638-05-8

4-Hydroxy tolvaptan (mixture of diastereomers)

CAS 1587638-05-8C₂₆H₂₅ClN₂O₄

N-(4-(5-Hydroxy-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide chemical structure, C27H28N2O4, CAS 1859917-54-6

N-(4-(5-Hydroxy-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide

CAS 1859917-54-6C₂₇H₂₈N₂O₄