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Murcko scaffold

Ring system with 3 rings and 20 atoms

36 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
36
With full pages
5
Scaffold SMILES

c1ccc(NC2CCN(CCc3cccs3)CC2)cc1

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 c1ccc(NC2CCN(CCc3cccs3)CC2)cc1

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 36 of 36 chemicals

Sufentanil chemical structure, C22H30N2O2S, CAS 56030-54-7
Sufentanil
CAS 56030-54-7C22H30N2O2S
3-Methylthiofentanyl chemical structure, C21H28N2OS, CAS 86052-04-2
3-Methylthiofentanyl
CAS 86052-04-2C21H28N2OS
alpha-Methylthiofentanyl chemical structure, C21H28N2OS, CAS 103963-66-2
alpha-Methylthiofentanyl
CAS 103963-66-2C21H28N2OS
Thiofentanyl chemical structure, C20H26N2OS, CAS 1165-22-6
Thiofentanyl
CAS 1165-22-6C20H26N2OS
Sufentanil citrate chemical structure, C28H38N2O9S, CAS 60561-17-3
Sufentanil citrate
CAS 60561-17-3C28H38N2O9S
Thiofentanil chemical structure, C22H28N2O3S, CAS 60771-38-2
Thiofentanil
CAS 60771-38-2C22H28N2O3S
Thiofentanil oxalate chemical structure, C24H30N2O7S, CAS 73005-06-8
Thiofentanil oxalate
CAS 73005-06-8C24H30N2O7S
N-(4-(1-Oxopropyl)-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenylpropanamide chemical structure, C23H30N2O2S, CAS 60644-96-4
N-(4-(1-Oxopropyl)-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenylpropanamide
CAS 60644-96-4C23H30N2O2S
(4-(Phenylamino)-1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)methanol chemical structure, C18H24N2OS, CAS 164790-59-4
(4-(Phenylamino)-1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)methanol
CAS 164790-59-4C18H24N2OS
1-Propanone, 1-[4-(phenylamino)-1-[2-(2-thienyl)ethyl]-4-piperidinyl]- chemical structure, C20H26N2OS, CAS 61086-25-7
1-Propanone, 1-[4-(phenylamino)-1-[2-(2-thienyl)ethyl]-4-piperidinyl]-
CAS 61086-25-7C20H26N2OS
Methyl 4-((2-methoxyacetyl)phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate chemical structure, C22H28N2O4S, CAS 101345-60-2
Methyl 4-((2-methoxyacetyl)phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate
CAS 101345-60-2C22H28N2O4S
Aes5epg2RX chemical structure, C24H32N2O3S, CAS 119997-43-2
Aes5epg2RX
CAS 119997-43-2C24H32N2O3S
4-(Methoxymethyl)-N-phenyl-1-(2-(2-thienyl)ethyl)-4-piperidinamine chemical structure, C19H26N2OS, CAS 72996-73-7
4-(Methoxymethyl)-N-phenyl-1-(2-(2-thienyl)ethyl)-4-piperidinamine
CAS 72996-73-7C19H26N2OS
Sufentanil hydrochloride chemical structure, C22H31ClN2O2S, CAS 164790-60-7
Sufentanil hydrochloride
CAS 164790-60-7C22H31ClN2O2S
Desmethylsufentanil chemical structure, C21H28N2O2S, CAS 99759-68-9
Desmethylsufentanil
CAS 99759-68-9C21H28N2O2S
Sufentanil-d3 citrate chemical structure, C28H38N2O9S, CAS 1185143-91-2
Sufentanil-d3 citrate
CAS 1185143-91-2C28H38N2O9S
Thiofentanil-d3 chemical structure, C22H28N2O3S, CAS 1185004-68-5
Thiofentanil-d3
CAS 1185004-68-5C22H28N2O3S
trans-3-Methyl Thiofentanyl chemical structure, C21H28N2OS, CAS 2748623-39-2
trans-3-Methyl Thiofentanyl
CAS 2748623-39-2C21H28N2OS
N-(1-(1-Methyl-2-(2-thienyl)ethyl)-4-piperidyl)-N-phenylpropanamide hydrochloride chemical structure, C21H29ClN2OS, CAS 117332-94-2
N-(1-(1-Methyl-2-(2-thienyl)ethyl)-4-piperidyl)-N-phenylpropanamide hydrochloride
CAS 117332-94-2C21H29ClN2OS
Thiofentanyl hydrochloride chemical structure, C20H27ClN2OS, CAS 79278-88-9
Thiofentanyl hydrochloride
CAS 79278-88-9C20H27ClN2OS
cis-N-(1-(2-(2-Thienyl)ethyl)-3-methyl-4-piperidyl)-N-phenylpropanamide hydrochloride chemical structure, C21H29ClN2OS, CAS 131690-45-4
cis-N-(1-(2-(2-Thienyl)ethyl)-3-methyl-4-piperidyl)-N-phenylpropanamide hydrochloride
CAS 131690-45-4C21H29ClN2OS
3-Methylthiofentanyl, cis- chemical structure, C21H28N2OS, CAS 742029-96-5
3-Methylthiofentanyl, cis-
CAS 742029-96-5C21H28N2OS
beta-Hydroxythiofentanyl chemical structure, C20H26N2O2S, CAS 1474-34-6
beta-Hydroxythiofentanyl
CAS 1474-34-6C20H26N2O2S
Thiafentanil oxalate chemical structure, C24H30N2O8S, CAS 101365-73-5
Thiafentanil oxalate
CAS 101365-73-5C24H30N2O8S