Murcko scaffold
Ring system with 8 rings and 48 atoms
159 chemicals on CompoundList share this ring system.
- Rings
- 8
- Scaffold atoms
- 48
- Chemicals
- 159
- With full pages
- 46
Scaffold SMILES
O=C(CCC1CC2NC1=CC1=NC(=CC3=NC(=CC4=NC2CC4)CC3)CC1)NCCO[PH](=O)OC1COC(n2cnc3ccccc32)C1
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.
OC1COC(n2cnc3ccccc32)C1](/scaffold/KZVDABPPBRITNB-UHFFFAOYSA-N/structure.svg)
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 48 of 159 chemicals
Cobinamide, Co-(acetato-kO)-, dihydrogen phosphate (ester), innersalt, 3'-ester with(5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-kN3)
C64H91CoN13O16P
Cob(III)alamin
CAS 18534-66-2C62H88CoN13O14P-2
1,N6-Ethenoadenosylcobalamin
CAS 54635-00-6C74H101CoN18O17P
Cobamamide
C72H100CoN18O17P
Cobinamide, Co-methyl-, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole, stereoisomer
CAS 140224-22-2C63H91CoN13O14P
Sulfitocobalamin
CAS 15671-27-9C62H89CoN13O17PS
Vitamin B12-Co(II)
CAS 14463-33-3C62H88CoN13O14P
Nitritocobalamin (~90per cent by HPLC)
CAS 20623-13-6C62H88CoN14O16P
Cobinamide, isocyanide, dihydrogen phosphate (eater), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
CAS 89138-85-2C63H88CoN14O14P
Vitamin B12 coenzyme 5'-phosphate
CAS 39044-48-9C72H101CoN18O20P2
Aminopropylcobalamin
CAS 72728-11-1C65H96CoN14O14P
Formylmethylcobalamin
CAS 41871-63-0C64H91CoN13O15P
Cysteinylcobalamin
CAS 60659-91-8C65H94CoN14O16PS
Ferribalamin
CAS 69743-59-5C63H88FeN14O14P
2-Methyl-2-aminopropanol-B 12
CAS 13408-80-5C64H90CoN14O14P
Adeninylethylcobalamin
CAS 59209-78-8C69H96CoN18O14P
Coalpha-(alpha-5,6-dimethylbenzimidazolyl)-cobeta-cyanocobamide
CAS 143481-69-0C60H84CoN13O14P+
Aquocobalamin
CAS 13422-52-1C62H91CoN13O16P
Cyanocobalamin-b-monocarboxylic acid
C63H87CoN13O15P
Methylcobalamine chlorpalladate
CAS 58220-71-6C63H93Cl3CoN13O15PPd-
Cobinamide, Co-(acetato-kO)-, dihydrogen phosphate (ester), innersalt, 3'-ester with(5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-kN3)
C64H91CoN13O16P
Factor III, vitamin B 12
CAS 14708-95-3C61H84CoN14O15P
Vitamin B12 e-Monocarboxylic acid
CAS 26264-28-8C63H87CoN13O15P
Glutathionylcobalamin
CAS 129128-04-7C72H104CoN16O20PS
- Coenzyme B12C72H100CoN18O17P
- MethylcobalC63H91CoN13O14P
- Docelan (TN)C64H92CoN13O16P
- Mecobalamin (JP17/USAN)C63H91CoN13O14P
- Aminopyrine mixture with dexamethasone, phenylbutazone, vitamin B 12 and thiamine84020-72-4C129H171ClCoFN23O23PS
- Metamizol mixture with vitamin B6, vitamin B1 and vitamin B1276404-01-8C96H130ClCoN22NaO22PS2
- Thiobanzyme79028-53-8C92H128ClCoN23O21PS
- Triredisol76773-81-4C83H116ClCoN19O18PS
- Choline, dehydrocholic acid, magnesium orotate, orotic acid, Vitamin B12 drug combination77648-60-3C107H145CoMgN21O32P
- Carbanide, cobalt(2+), [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphateC63H91CoN13O14P-
- DeoxyadenosylcobalaminC72H100CoN18O17P
- Hydroxocobalamin hydrochloride (JAN)C62H91ClCoN13O15P-2
- DibencozideC72H100CoN18O17P
- MethylcobalaminC63H91CoN13O14P
- 1 suppliersAdenosyl cobalamineC72H100CoN18O17P
- Acetic acid, cobalt(2+), [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphateC64H92CoN13O16P
- 2-(6-Aminopurin-9-yl)-5-methanidyloxolane-3,4-diol, cobalt(3+), [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(9Z,14E)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphateC72H100CoN18O17P
- 33 suppliersHydroxocobalamin13422-51-0C62H89CoN13O15P
- Acetic acid, cobalt(2+), [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate, hydrateC64H94CoN13O17P
- Cobalt(2+), [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphateC62H88CoN13O14P
- Vitamin B12sC62H89CoN13O14P-
- Carbanide, cobalt, [(2R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphateC63H91CoN13O14P-3
- AquacobalaminC62H91ClCoN13O15P
- CalomideC72H100CoN18O17P
Related scaffolds
Same ring framework with different atoms or bond orders
OC1COC(n2cnc3ccccc32)C1](/scaffold/QOTOLIRUYUAUQD-UHFFFAOYSA-N/structure.svg)
OC1COC(n2cnc3ccccc32)C1](/scaffold/COGZSFVHNLQTLP-UHFFFAOYSA-N/structure.svg)