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Murcko scaffold

Ring system with 4 rings and 23 atoms

30 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
30
With full pages
3
Scaffold SMILES

C(=CC=C1Nc2ccccc2S1)C=Cc1nc2ccccc2s1

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(=CC=C1Nc2ccccc2S1)C=Cc1nc2ccccc2s1

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 30 of 30 chemicals

Benzothiazolium, 6-chloro-2-(5-(6-chloro-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide chemical structure, C21H17Cl2IN2S2, CAS 14795-77-8
Benzothiazolium, 6-chloro-2-(5-(6-chloro-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide
CAS 14795-77-8C21H17Cl2IN2S2
Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-, bromide (1:1) chemical structure, C23H23BrN2O2S2, CAS 18371-33-0
Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-, bromide (1:1)
CAS 18371-33-0C23H23BrN2O2S2
Benzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene]-1,3-pentadien-1-yl]-6-methoxy-, bromide (1:1) chemical structure, C25H27BrN2O4S2, CAS 63815-82-7
Benzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene]-1,3-pentadien-1-yl]-6-methoxy-, bromide (1:1)
CAS 63815-82-7C25H27BrN2O4S2
3-Ethyl-2-((1Z,3E,5E)-5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodide chemical structure, C23H23IN2S2, CAS 153502-66-0
3-Ethyl-2-((1Z,3E,5E)-5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodide
CAS 153502-66-0C23H23IN2S2
Dithiazanine chemical structure, C23H23N2S2+, CAS 7187-55-5
Dithiazanine
CAS 7187-55-5C23H23N2S2+
3-Ethyl-2-[5-(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-methoxy-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate chemical structure, C32H34N2O5S3, CAS 36437-64-6
3-Ethyl-2-[5-(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-methoxy-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate
CAS 36437-64-6C32H34N2O5S3
Dithiazanine iodide chemical structure, C23H23IN2S2, CAS 514-73-8
Dithiazanine iodide
CAS 514-73-8C23H23IN2S2
Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-, iodide chemical structure, C23H23IN2S2, CAS 169736-34-9
Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-, iodide
CAS 169736-34-9C23H23IN2S2
3,3'-Diethyl-6,6'-dimethylthiadicarbocyanine iodide chemical structure, C25H27IN2S2, CAS 10258-80-7
3,3'-Diethyl-6,6'-dimethylthiadicarbocyanine iodide
CAS 10258-80-7C25H27IN2S2
Benzothiazolium, 6-chloro-2-(5-(6-chloro-3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-ethyl-, iodide chemical structure, C23H21Cl2IN2S2, CAS 14620-23-6
Benzothiazolium, 6-chloro-2-(5-(6-chloro-3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-ethyl-, iodide
CAS 14620-23-6C23H21Cl2IN2S2
NK 1129 chemical structure, C25H27IN2O2S2, CAS 14795-76-7
NK 1129
CAS 14795-76-7C25H27IN2O2S2
Benzothiazolium, 6-methoxy-2-(5-(6-methoxy-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide chemical structure, C23H23IN2O2S2, CAS 17578-95-9
Benzothiazolium, 6-methoxy-2-(5-(6-methoxy-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide
CAS 17578-95-9C23H23IN2O2S2
3,3'-Dibutyl-2,2'-dithiacarbocyanine chemical structure, C27H31IN2S2, CAS 53213-95-9
3,3'-Dibutyl-2,2'-dithiacarbocyanine
CAS 53213-95-9C27H31IN2S2
3,3'-Dipropyl-2,2'-thiadicarbocyanine chemical structure, C25H27IN2S2, CAS 53213-94-8
3,3'-Dipropyl-2,2'-thiadicarbocyanine
CAS 53213-94-8C25H27IN2S2
Benzothiazolium, 6-bromo-2-(5-(6-bromo-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide chemical structure, C21H17Br2IN2S2, CAS 14620-24-7
Benzothiazolium, 6-bromo-2-(5-(6-bromo-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide
CAS 14620-24-7C21H17Br2IN2S2
3,3'-Dimethyl-6,6'-dinitrothiadicarbocyanine iodide chemical structure, C21H17IN4O4S2, CAS 14620-25-8
3,3'-Dimethyl-6,6'-dinitrothiadicarbocyanine iodide
CAS 14620-25-8C21H17IN4O4S2
Benzothiazolium, 3,6-dimethyl-2-(5-(3,6-dimethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-, iodide chemical structure, C23H23IN2S2, CAS 14795-75-6
Benzothiazolium, 3,6-dimethyl-2-(5-(3,6-dimethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-, iodide
CAS 14795-75-6C23H23IN2S2
Benzothiazolium, 6-ethoxy-2-(5-(6-ethoxy-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide chemical structure, C25H27IN2O2S2, CAS 17578-97-1
Benzothiazolium, 6-ethoxy-2-(5-(6-ethoxy-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide
CAS 17578-97-1C25H27IN2O2S2
3-Ethyl-2-(5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium chloride chemical structure, C23H23ClN2S2
3-Ethyl-2-(5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium chloride
C23H23ClN2S2
3-Ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium perchlorate chemical structure, C23H23ClN2O4S2
3-Ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium perchlorate
C23H23ClN2O4S2
3,3'-Diethylthiadicarbocyanine perchlorate chemical structure, C23H23ClN2O4S2, CAS 22268-65-1
3,3'-Diethylthiadicarbocyanine perchlorate
CAS 22268-65-1C23H23ClN2O4S2
3-Pentyl-2-((1E,3E)-5-[3-pentyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl)-1,3-benzothiazol-3-ium iodide chemical structure, C29H35IN2S2, CAS 53213-96-0
3-Pentyl-2-((1E,3E)-5-[3-pentyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl)-1,3-benzothiazol-3-ium iodide
CAS 53213-96-0C29H35IN2S2
3-Ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole chloride chemical structure, C23H23ClN2S2
3-Ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole chloride
C23H23ClN2S2
3-Ethyl-2-((1E,3E,5E)-5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium perchlorate chemical structure, C23H23ClN2O4S2
3-Ethyl-2-((1E,3E,5E)-5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium perchlorate
C23H23ClN2O4S2