Murcko scaffold
Ring system with 4 rings and 41 atoms
52 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 41
- Chemicals
- 52
- With full pages
- 10
Scaffold SMILES
O=C1CCCCNC(=O)C2CCCN2C(=O)CNC(=O)C(CCc2ccccc2)NC(=O)C2CCCN2C(=O)CN1
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.
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 52 chemicals
Pneumocandin C(0)
CAS 144074-96-4C50H80N8O17
Tetrahydroechinocandin B
CAS 54651-06-8C52H85N7O16
L-688,786 Prodrug - 8g
CAS 138661-18-4C53H86ClN9O18
L-688,786 Prodrug - 8h
CAS 138661-19-5C52H84ClN9O18
Antibiotic S 31794F1
CAS 61991-02-4C49H78N8O17
Echinocandin B, 1-((4R,5R)-5-(3-aminopropoxy)-4-hydroxy-N2-(1-oxohexadecyl)-L-ornithine)-
CAS 143131-16-2C53H88N8O16
WF 11899A
CAS 160335-87-5C51H82N8O21S
WF 11899B
CAS 160335-88-6C51H82N8O20S
WF 11899C
CAS 160335-89-7C51H82N8O19S
Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-
CAS 150283-04-8C50H82N8O16
RefChem:151704
CAS 150220-81-8C52H85N9O17
Caspofungin acetate
CAS 179463-17-3C56H96N10O19
ECBN hydrochloride
CAS 1029890-89-8C34H52ClN7O15
Echinocandin B nucleus
C34H51N7O15
Deoxymulundocandin
CAS 138626-63-8C48H77N7O15
FR-901379
CAS 144371-88-0C51H82N8O21S
Echinocandin B
CAS 54651-05-7C52H81N7O16
Orb3023964
CAS 135882-23-4C51H82N8O13
PneumocandinA0
CAS 120692-19-5C51H82N8O17
Pneumocandin D(0)
CAS 144087-99-0C50H80N8O18
Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-L-ornithine)-
CAS 79411-15-7C34H51N7O15
Echinocandin D
CAS 71018-13-8C52H81N7O13
Pneumocandin B(0)
CAS 135575-42-7C50H80N8O17
Caspofungin
CAS 162808-62-0C52H88N10O15
- Orb3023962138530-80-0C50H80N8O15
- RefChem:151696138661-20-8C50H80N8NaO20P
- Caspofungin impurity 41202167-57-4C51H86N10O15
- Aculeacin A58814-86-1C51H82N8O17
- (9Z,12E)-N-[6-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]octadeca-9,12-dienamide79814-65-6C52H81N7O16
- 1 suppliersFR-179642168110-44-9C35H52N8O20S
- Pneumocandin ao1431371-54-8C51H82N8O17
- Orb3141727135862-91-8C51H82N8O14
- Orb3023969135862-90-7C51H82N8O16
- Caspofungin impurity AC51H86N10O15
- Orb3023945135867-75-3C51H82N8O15
- N-[12-(2-Aminoethoxy)-20-(3-amino-1-hydroxypropyl)-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,16-trihydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyltetradecanamide159346-64-2C52H87N9O16
- 1 suppliersCaspofungin impurity C251095-73-5C52H88N10O15
- 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin BC34H51N7O15
- Caspofungin impurity 61671884-42-6C52H88N10O16
- Caspofungin impurity 27C50H80N8O17
- Mulundocandin108351-20-8C48H77N7O16
- Caspofungin impurity AC51H86N10O15
- Caspofungin acetate-d41131958-73-0C52H88N10O15
- CaspofunginImpurityAC51H86N10O15
- Pneumocandin A(0)120300-08-5C51H82N8O17
- 2-L-Serinepneumocandin B0258510-40-6C49H78N8O17
- 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-pneumocandin A0, hydrate1392483-15-6C35H54N8O21S
- Caspofungin impurity 24C56H96N10O19