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Murcko scaffold

Ring system with 4 rings and 16 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
16
Chemicals
10
With full pages
1
Scaffold SMILES

c1cc2c3c(c[nH]c3c1)CC1NCCOC21

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 c1cc2c3c(c[nH]c3c1)CC1NCCOC21

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 10 of 10 chemicals

7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-7-methyl-, monohydrochloride, (±)-, (6-ars,10-ars)- chemical structure, C14H17ClN2O, CAS 77291-63-5
7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-7-methyl-, monohydrochloride, (±)-, (6-ars,10-ars)-
CAS 77291-63-5C14H17ClN2O
7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-, monohydrochloride, (±)-, (6-aRS,10-aRS) chemical structure, C13H15ClN2O, CAS 80952-17-6
7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-, monohydrochloride, (±)-, (6-aRS,10-aRS)
CAS 80952-17-6C13H15ClN2O
7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-7-propyl-, monohydrochloride, (±)-, (6-ars,10-ars)- chemical structure, C16H21ClN2O, CAS 80952-18-7
7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-7-propyl-, monohydrochloride, (±)-, (6-ars,10-ars)-
CAS 80952-18-7C16H21ClN2O
7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-5-bromo-7-methyl-, oxalate, (±)-(6-ars,10-ars)- chemical structure, C16H17BrN2O5, CAS 84132-04-7
7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-5-bromo-7-methyl-, oxalate, (±)-(6-ars,10-ars)-
CAS 84132-04-7C16H17BrN2O5
6-Ethyl-9-oxaergoline chemical structure, C15H18N2O, CAS 81244-91-9
6-Ethyl-9-oxaergoline
CAS 81244-91-9C15H18N2O
N-Propyl-9-oxaergoline chemical structure, C16H21ClN2O, CAS 85351-27-5
N-Propyl-9-oxaergoline
CAS 85351-27-5C16H21ClN2O
RU 41656 chemical structure, C16H20N2OS, CAS 134377-22-3
RU 41656
CAS 134377-22-3C16H20N2OS
9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) chemical structure, C17H20N2O5, CAS 80917-59-5
9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)
CAS 80917-59-5C17H20N2O5
9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (±)- chemical structure, C16H20BrClN2O, CAS 80952-19-8
9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (±)-
CAS 80952-19-8C16H20BrClN2O
Voxergolide chemical structure, C16H20N2OS, CAS 89651-00-3
Voxergolide
CAS 89651-00-3C16H20N2OS