Murcko scaffold
Ring system with 4 rings and 40 atoms
22 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 40
- Chemicals
- 22
- With full pages
- 1
Scaffold SMILES
O=C(COc1ccccc1)NC(CCC(Cc1ccccc1)NC(=O)CN1CCCNC1=O)Cc1ccccc1
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 22 of 22 chemicals
![N-[5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide chemical structure, C37H48N4O5, CAS 1217628-64-2](/s/KJHKTHWMRKYKJE-UHFFFAOYSA-N.svg)
N-[5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
CAS 1217628-64-2C37H48N4O5
Lopinavir
CAS 192725-17-0C37H48N4O5
DES(2-oxo-tetrahydropyrimidinyl)-2-oxo-4-hydroxy-tetrahydropyrimidinyl lopinavir
CAS 357275-54-8C37H48N4O6
Lopinavir, D-valine diastereomer-
CAS 1623021-24-8C37H48N4O5
![(2S)-N-[(4S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(4-hydroxy-2-oxo-1,3-diazinan-1-yl)-3-methylbutanamide chemical structure, C37H48N4O6](/s/HECSHMHYHYDFLR-SWOJEPDRSA-N.svg)
(2S)-N-[(4S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(4-hydroxy-2-oxo-1,3-diazinan-1-yl)-3-methylbutanamide
C37H48N4O6
![N-[(2S,4S,5S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-[(4S)-4-hydroxy-2-oxo-1,3-diazinan-1-yl]-3-methylbutanamide chemical structure, C37H48N4O6](/s/HECSHMHYHYDFLR-BHBZANMBSA-N.svg)
N-[(2S,4S,5S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-[(4S)-4-hydroxy-2-oxo-1,3-diazinan-1-yl]-3-methylbutanamide
C37H48N4O6
Lopinavir (2R) epimer
C37H48N4O5
(2S,4R,5S)-Lopinavir
CAS 1798014-18-2C37H48N4O5
Lopinavir monohydrate
CAS 1239071-09-0C37H50N4O6
Lopinavir-d8
CAS 1322625-54-6C37H48N4O5
Lopinavir metabolite M-3/M-4
C37H48N4O6
Lopinavir EP impurity I
CAS 2518443-74-6C37H48N4O5
Sulfolopinavir
CAS 2726380-50-1C37H48N4O8S
DES(2-oxo-tetrahydropyrimidinyl)-2-oxo-4-hydroxy-tetrahydropyrimidinyl lopinavir, (R)-
CAS 221553-72-6C37H48N4O6
DES(2-oxo-tetrahydropyrimidinyl)-2-oxo-4-hydroxy-tetrahydropyrimidinyl lopinavir, (S)-
CAS 221553-69-1C37H48N4O6
Rel-(R)-N-((2R,4S,5R)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
C37H48N4O5
![N-[(2S,4R,5S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide chemical structure, C37H48N4O5](/s/KJHKTHWMRKYKJE-GVSCUEQWSA-N.svg)
N-[(2S,4R,5S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
C37H48N4O5
![Lopinavir impurity G [WHO-IP] chemical structure, C38H50N4O5, CAS 1132765-60-6](/s/DRVMTVSVYLFULH-CUPIEXAXSA-N.svg)
Lopinavir impurity G [WHO-IP]
CAS 1132765-60-6C38H50N4O5
![(2R,3S)-N-[(2S,4S,5S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)pentanamide chemical structure, C38H50N4O5](/s/YORYEDPQPARBHF-NLVSJJSZSA-N.svg)
(2R,3S)-N-[(2S,4S,5S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)pentanamide
C38H50N4O5
(2R,4S,5S)-Lopinavir
C37H48N4O5
![Lopinavir impurity F [who-IP] chemical structure, C38H50N4O5, CAS 1132765-59-3](/s/YORYEDPQPARBHF-KPWATQDOSA-N.svg)
Lopinavir impurity F [who-IP]
CAS 1132765-59-3C38H50N4O5
Orb3213340
CAS 2714584-85-5C37H48N4O5