Murcko scaffold
Ring system with 4 rings and 26 atoms
111 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 26
- Chemicals
- 111
- With full pages
- 27
Scaffold SMILES
O=C(Nc1ccccc1)c1c[nH]c(-c2ccccc2)c1-c1ccccc1
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.
![Murcko scaffold O=C(Nc1ccccc1)c1c[nH]c(-c2ccccc2)c1-c1ccccc1](/scaffold/KPRRSDNZJQBLFA-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 111 chemicals
Atorvastatin EP impurity B
CAS 842103-12-2C33H35FN2O5
Atorvastatin calcium
CAS 134523-03-8C66H68CaF2N4O10
Atorvastatin
CAS 134523-00-5C33H35FN2O5
ent-Atorvastatin
CAS 501121-34-2C33H35FN2O5
Atorvastatin hemicalcium trihydrate
CAS 344423-98-9C66H74CaF2N4O13
Atorvastatin, (3S,5R)-
CAS 887324-52-9C33H35FN2O5
o-Hydroxyatorvastatin
CAS 214217-86-4C33H35FN2O6
Rac-atorvastatin calcium
CAS 363599-71-7C66H70CaF2N4O10
p-Hydroxyatorvastatin
CAS 214217-88-6C33H35FN2O6
Atorvastatin calcium salt trihydrate
CAS 344920-08-7C33H37CaFN2O6
Atorvastatin lysine
CAS 609843-23-4C39H49FN4O7
Fluoroatorvastatin
CAS 693794-20-6C33H34F2N2O5
Atorvastatin methyl ester
CAS 345891-62-5C34H37FN2O5
![(3R,5R)-7-[2-(4-Fluorophenyl)-3-(4-methylphenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid chemical structure, C34H37FN2O5, CAS 693794-21-7](/s/DDGGZMGZFJOPOF-VSGBNLITSA-N.svg)
(3R,5R)-7-[2-(4-Fluorophenyl)-3-(4-methylphenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CAS 693794-21-7C34H37FN2O5
(BetaR,deltaR)-beta,delta-dihydroxy-2-(1-methylethyl)-4,5-diphenyl-3-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid
CAS 433289-84-0C33H36N2O5
Bemfivastatin
CAS 805241-79-6C34H37FN2O6
Atorvastatin tert-butyl ester
CAS 134395-00-9C37H43FN2O5
Ncx-6560
CAS 803728-45-2C37H42FN3O8
5-(4-Fluorophenyl)-2-isopropyl-n,4-diphenyl-1H-pyrrole-3-carboxamide
CAS 666714-64-3C26H23FN2O
5-(4-Fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide
CAS 110862-46-9C29H27FN2O2
GC8Nfj8T5R
CAS 351426-86-3C28H27FN2O2
Atorvastatin magnesium
CAS 874114-41-7C66H68F2MgN4O10
Methanamine (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
CAS 908852-19-7C34H40FN3O5
3-Oxo Atorvastatin tert-Butyl Ester
CAS 134394-98-2C37H41FN2O5
- PPD-10558 calcium salt805241-64-9C68H72CaF2N4O12
- 5 suppliersAmlodipine, atorvastatin drug combination930274-47-8C92H99CaClF2N6O18S
- Methyl 2-(4-fluorophenyl)-delta-hydroxy-5-(1-methylethyl)-beta-oxo-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoate110862-47-0C34H35FN2O5
- tert-Butyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoate947262-20-6C37H41FN2O5
- para-Hydroxy Atorvastatin-d5 CalciuM Salt265989-45-5C66H68CaF2N4O12
- 1 suppliers2-Hydroxy atorvastatin calcium salt265989-46-6C66H68CaF2N4O12
- (3R,5R)-7-(5-(4-(Fluorophenyl)-2,3-dihydro-3-(1-methylethyl)-2-oxo-4-phenyl-3-((phenylamino)carbonyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-heptanoic acid calcium salt265989-44-4C66H68CaF2N4O12
- 7-[2-(4-Fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(~2~H_5_)phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid767274-94-2C33H35FN2O6
- 2-(4-Fluorophenyl)-delta-hydroxy-5-(1-methylethyl)-beta-oxo-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid1391194-36-7C33H33FN2O5
- Atorvastatin (calcium salt hydrate)357164-38-6C66H70CaF2N4O11
- 7-(2-(4-Fluorophenyl)-4-((4-(hydroxymethyl)phenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acidC34H37FN2O6
- Sodium (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoateC33H34FN2NaO6
- 4-Hydroxy atorvastatin monosodium salt163217-71-8C33H34FN2NaO6
- 5 suppliersAtorvastatin sodium134523-01-6C33H34FN2NaO5
- Atorvastatin-d5 sodium salt222412-87-5C33H34FN2NaO5
- Atorvastatin magnesium trihydrate1035609-19-8C66H74F2MgN4O13
- Atorvastatin strontium1072903-92-4C66H68F2N4O10Sr
- 1 suppliers2-Hydroxy atorvastatin-d5 disodium salt1276537-19-9C33H33FN2Na2O6
- 4-Hydroxy atorvastatin disodium salt1276537-18-8C33H33FN2Na2O6
- Calcium, (3R,5R)-7-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate222412-82-0C33H34CaFN2O5+
- 4-Hydroxy atorvastatin hemicalcium salt (>90%)1263176-34-6C33H34CaFN2O6+
- (ssR,dR)-2-(4-Fluorophenyl)-ss,d-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrole-1-heptanoic Acid Calcium Salt (2:1)C33H34CaFN2O6+
- Di(2-hydroxy atorvastatin-d5) calcium salt265989-47-7C33H34CaFN2O6+
- 2 suppliers(3S,5S)-Atorvastatin sodium salt1428118-38-0C33H34FN2NaO5
Related scaffolds
Same ring framework with different atoms or bond orders
c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc132 chemicals
c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc130 chemicals
c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc128 chemicals
O=C1NN(C(=O)Nc2ccccc2)C(c2ccccc2)C1c1ccccc13 chemicals![Scaffold O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccccc1](/scaffold/FDYTZUWLDOIJEA-UHFFFAOYSA-N/structure.svg)
O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccccc12 chemicals
O=C(Nc1ccccc1)C1NCC(c2ccccc2)C1c1ccccc11 chemical
c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc11 chemical
C(=Nn1cnc(-c2ccccc2)c1-c1ccccc1)c1ccccc11 chemical
c1ccc(-c2nnc(SCC3CCOCO3)n2-c2ccccc2)cc11 chemical