Murcko scaffold
Ring system with 2 rings and 15 atoms
139 chemicals on CompoundList share this ring system.
- Rings
- 2
- Scaffold atoms
- 15
- Chemicals
- 139
- With full pages
- 15
Scaffold SMILES
O=C(NCC1CCCCO1)C1CCCN1
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 139 chemicals
Methyl 7-chloro-6,7,8-trideoxy-6-((1-methyl-4-propylprolyl)amino)-1-thiooctopyranoside
CAS 1097774-72-5C18H33ClN2O5S
Lincomycine
CAS 1397321-28-6C18H34N2O6S
![(2S,4R)-N-[(1S)-2-Hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide chemical structure, C18H34N2O6S, CAS 12768-69-3](/s/OJMMVQQUTAEWLP-ZUWRKQLMSA-N.svg)
(2S,4R)-N-[(1S)-2-Hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
CAS 12768-69-3C18H34N2O6S
Methyl 7-chloro-6,7,8-trideoxy-6-((hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene)amino)-1-thiooctopyranoside
CAS 13441-63-9C18H33ClN2O5S
![1-Ethyl-N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpyrrolidine-2-carboxamide chemical structure, C19H36N2O6S](/s/BGIBVNTYTUVJAD-UHFFFAOYSA-N.svg)
1-Ethyl-N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpyrrolidine-2-carboxamide
C19H36N2O6S
![Methyl 7-chloro-6,7,8-trideoxy-2-O-hexadecanoyl-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside--hydrogen chloride (1/1) chemical structure, C34H64Cl2N2O6S](/s/GTNDZRUWKHDICY-VRDMNUDUSA-N.svg)
Methyl 7-chloro-6,7,8-trideoxy-2-O-hexadecanoyl-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside--hydrogen chloride (1/1)
C34H64Cl2N2O6S
Lincomycin hydrochloride anhydrous
CAS 859-18-7C18H35ClN2O6S
Lincomycin hydrochloride monohydrate
CAS 7179-49-9C18H37ClN2O7S
7-Epiclindamycin hydrochloride
CAS 17431-55-9C18H34Cl2N2O5S
L-threo-alpha-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-((((2S,5R)-1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, 2-hexadecanoate
CAS 35208-55-0C34H63ClN2O6S
Clindamycin no. 2 U24729A
CAS 38740-71-5C19H36Cl2N2O5S
Lincospectin
CAS 57456-42-5C32H60N4O17S2
Antibiotic Bu 2545
CAS 75007-09-9C16H30N2O6S
Desalitcetin
CAS 19246-70-9C17H32N2O7S
Clindamycin phosphate
CAS 24729-96-2C18H34ClN2O8PS
Clindamycin
CAS 18323-44-9C18H33ClN2O5S
Lincomycin
CAS 154-21-2C18H34N2O6S
7-Epiclindamycin
CAS 16684-06-3C18H33ClN2O5S
7-Deoxylincomycin
CAS 40371-85-5C18H35ClN2O5S
![N-[2-Chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-ethyl-4-propylpyrrolidine-2-carboxamide chemical structure, C19H35ClN2O5S, CAS 13441-66-2](/s/YRKXZBDMLLJYDK-UHFFFAOYSA-N.svg)
N-[2-Chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-ethyl-4-propylpyrrolidine-2-carboxamide
CAS 13441-66-2C19H35ClN2O5S
Clindamycin phosphate, tretinoin
CAS 337954-93-5C38H62ClN2O10PS
Clindamycin sulfoxide
CAS 22431-46-5C18H33ClN2O6S
Clindamycin hydrochloride
CAS 21462-39-5C18H34Cl2N2O5S
Clindamycin palmitate hydrochloride
CAS 25507-04-4C34H64Cl2N2O6S
- 4 suppliersClindamycin palmitate36688-78-5C34H63ClN2O6S
- 1 suppliers[6-[2-Chloro-1-[(1-methyl-4-propylpyrrolidine-2-carbonyl)amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate34850-73-2C34H64Cl2N2O6S
- Lincomycin-B2520-24-3C17H32N2O6S
- 1 suppliersLincolnensin, hydrochloride1397020-05-1C18H35ClN2O6S
- Methyl 6-[(4-butyl-1-ethylprolyl)amino]-7-chloro-6,7,8-trideoxy-1-thiooctopyranoside18323-48-3C20H37ClN2O5S
- Mirincamycin hydrochloride8063-91-0C19H36Cl2N2O5S
- Mirincamycin31101-25-4C19H35ClN2O5S
- 3 suppliers7-Epilincomycin17017-22-0C18H34N2O6S
- Clindamycin-d3 hydrochlorideC18H34Cl2N2O5S
- 1 suppliersClindamycin 4-phosphate54887-30-8C18H34ClN2O8PS
- Methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-pentyl-L-prolyl]amino}-1-thio-D-erythro-alpha-D-galacto-octopyranoside17057-62-4C20H38N2O6S
- 4 suppliersClindamycin hydrochloride monohydrate58207-19-5C18H36Cl2N2O6S
- (2S,4R)-N-[(1R,2R)-2-Hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide, (2S)-5-oxopyrrolidine-2-carboxylic acid93940-75-1C23H41N3O9S
- Clindamycin phosphate and benzoyl peroxide151864-03-8C32H44ClN2O12PS
- 1 suppliers7-Epiclindamycin 2-phosphate620181-05-7C18H34ClN2O8PS
- (2R,3S,4S,5R,6R)-2-((1S,2R)ylpyrrolidineyl)-3,5-dihydroxy-6-(methylthio)tetrahydro-2H-pyran-4-yl dihydrogen phosphateC18H34ClN2O8PS
- Clindamycin 4-phosphateC18H34ClN2O8PS
- 1 suppliersClindamycin B 2-phosphate ammonium salt54887-31-9C17H32ClN2O8PS
- 2,3,4-Tri-O-trimethylsilyllincomycin25420-97-7C27H58N2O6SSi3
- 1 suppliersClindamycin B18323-43-8C17H31ClN2O5S
- 4-Butylsulfanyl-N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]pyrrolidine-2-carboxamide1401812-28-9C18H34N2O6S2
- [2-[2-Chloro-1-[(1-methyl-4-propylpyrrolidine-2-carbonyl)amino]propyl]-4,5-dihydroxy-6-methylsulfanyloxan-3-yl] dihydrogen phosphateC18H34ClN2O8PS
- Clindamycin-13C,D3 hydrochloride2140264-64-6C18H34Cl2N2O5S
- Clindamycin-13C,d32140264-63-5C18H33ClN2O5S
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(OCc1ccccc1)N1CCCC161 chemicals
O=C(NCc1ccco1)c1ccccc158 chemicals
O=C(Cc1cccs1)Nc1ccccc141 chemicals
O=C(NCC1CCCO1)c1ccccc138 chemicals
O=C(NCC1CCCN1)c1ccccc138 chemicals
O=C(Cc1ccccc1)Nc1nccs137 chemicals
O=S(=O)(NCc1ccco1)c1ccccc136 chemicals
O=S(=O)(NCC1CCCO1)c1ccccc134 chemicals
O=C(NCc1ccccc1)c1ccco130 chemicals
O=C(NCc1ccccc1)c1cccs128 chemicals
c1ccc(CNCc2ccco2)cc128 chemicals![Scaffold O=C(NCc1ccccc1)c1ccc[nH]1](/scaffold/PSYQATYJXPGBDC-UHFFFAOYSA-N/structure.svg)
O=C(NCc1ccccc1)c1ccc[nH]125 chemicals