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Murcko scaffold

Ring system with 3 rings and 20 atoms

19 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
19
With full pages
3
Scaffold SMILES

C(CCN1CCCCC1)=C(c1cccs1)c1cccs1

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(CCN1CCCCC1)=C(c1cccs1)c1cccs1

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 19 of 19 chemicals

1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid chemical structure, C20H25NO2S2, CAS 109857-64-9
1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid
CAS 109857-64-9C20H25NO2S2
Tiagabine chemical structure, C20H25NO2S2, CAS 115103-54-3
Tiagabine
CAS 115103-54-3C20H25NO2S2
Tiagabine hydrochloride chemical structure, C20H26ClNO2S2, CAS 145821-59-6
Tiagabine hydrochloride
CAS 145821-59-6C20H26ClNO2S2
Tiagabine, (S)- chemical structure, C20H25NO2S2, CAS 115103-55-4
Tiagabine, (S)-
CAS 115103-55-4C20H25NO2S2
(3R)-1-[4,4-Bis(3-methyl-2-thienyl)but-3-enyl]nipecotic acid hydrochloride chemical structure, C20H26ClNO2S2, CAS 145264-34-2
(3R)-1-[4,4-Bis(3-methyl-2-thienyl)but-3-enyl]nipecotic acid hydrochloride
CAS 145264-34-2C20H26ClNO2S2
Tiagabine ethyl ester chemical structure, C22H29NO2S2, CAS 145821-58-5
Tiagabine ethyl ester
CAS 145821-58-5C22H29NO2S2
(3R)-1-[(Z)-4-(3-Methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid chemical structure, C19H23NO2S2, CAS 745762-44-1
(3R)-1-[(Z)-4-(3-Methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid
CAS 745762-44-1C19H23NO2S2
1-[4,4-Bis(4-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid chemical structure, C20H25NO2S2, CAS 109857-65-0
1-[4,4-Bis(4-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid
CAS 109857-65-0C20H25NO2S2
(3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid hydrochloride chemical structure, C20H26ClNO2S2, CAS 109857-71-8
(3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid hydrochloride
CAS 109857-71-8C20H26ClNO2S2
Desmethyl tiagabine hydrochloride chemical structure, C19H24ClNO2S2, CAS 145195-52-4
Desmethyl tiagabine hydrochloride
CAS 145195-52-4C19H24ClNO2S2
Tiagabine-methyl-d6 Hydrochloride chemical structure, C20H26ClNO2S2, CAS 1217808-68-8
Tiagabine-methyl-d6 Hydrochloride
CAS 1217808-68-8C20H26ClNO2S2
Desmethyltiagabine chemical structure, C19H23NO2S2, CAS 748741-38-0
Desmethyltiagabine
CAS 748741-38-0C19H23NO2S2
Tiagabine-d5 (hydrochloride) chemical structure, C20H26ClNO2S2, CAS 109857-73-0
Tiagabine-d5 (hydrochloride)
CAS 109857-73-0C20H26ClNO2S2
Ethyl 1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylate chemical structure, C22H29NO2S2, CAS 148319-27-1
Ethyl 1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylate
CAS 148319-27-1C22H29NO2S2
Tiagabine hydrochloride monohydrate chemical structure, C20H28ClNO3S2, CAS 145821-57-4
Tiagabine hydrochloride monohydrate
CAS 145821-57-4C20H28ClNO3S2
(2R,3R)-2,3-Dihydroxybutanedioic acid--ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylate (1/1) chemical structure, C26H35NO8S2, CAS 875690-55-4
(2R,3R)-2,3-Dihydroxybutanedioic acid--ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylate (1/1)
CAS 875690-55-4C26H35NO8S2
Tiagabine related compound A (F0E177) chemical structure, C22H30ClNO2S2
Tiagabine related compound A (F0E177)
C22H30ClNO2S2
(R)-Tiagabine 4-carboxy-O-methyl chemical structure, C21H27NO2S2, CAS 938158-99-7
(R)-Tiagabine 4-carboxy-O-methyl
CAS 938158-99-7C21H27NO2S2
(3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]-3-(ethoxycarbonyl)piperidin-1-ium chloride chemical structure, C22H30ClNO2S2, CAS 145821-60-9
(3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]-3-(ethoxycarbonyl)piperidin-1-ium chloride
CAS 145821-60-9C22H30ClNO2S2