Murcko scaffold
Ring system with 3 rings and 16 atoms
32 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 16
- Chemicals
- 32
- With full pages
- 5
Scaffold SMILES
O=C1Nc2ccccc2C(C#CC2CC2)O1
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 32 of 32 chemicals
rac-Efavirenz
CAS 177530-93-7C14H9ClF3NO2
Efavirenz
CAS 154598-52-4C14H9ClF3NO2
Efavirenz, (R)-
CAS 154801-74-8C14H9ClF3NO2
8-Hydroxyefavirenz
CAS 205754-33-2C14H9ClF3NO3
(4R)-6-Chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
CAS 342621-26-5C14H9ClF3NO3
rac 7-Hydroxy Efavirenz
CAS 205754-50-3C14H9ClF3NO3
rac 8-Hydroxy Efavirenz
CAS 205754-32-1C14H9ClF3NO3
8-(tert-Butyldimethylsilyloxy) 8-Hydroxy Efavirenz, Technical Grade
CAS 1027042-31-4C20H23ClF3NO3Si
8,14-Dihydroxyefavirenz
CAS 252343-27-4C14H9ClF3NO4
rac Efavirenz-d5 (major)
CAS 1132642-95-5C14H9ClF3NO2
7-Hydroxyefavirenz
CAS 252343-24-1C14H9ClF3NO3
Deschloro-(S)-efavirenz
CAS 445468-46-2C14H10F3NO2
8-(tert-Butyldimethylsilyloxy) 8-Hydroxy Efavirenz-d4
CAS 1185072-51-8C20H23ClF3NO3Si
rac Efavirenz-d4
CAS 1246812-58-7C14H9ClF3NO2
rac 8-Hydroxy Efavirenz-d4
CAS 1246812-30-5C14H9ClF3NO3
rac 8,14-Dihydroxy Efavirenz
CAS 1189909-96-3C14H9ClF3NO4
rac 8,14-Dihydroxy Efavirenz-d4
CAS 1189859-26-4C14H9ClF3NO4
![(4S)-6-Chloro-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one chemical structure, C14H9ClF3NO2](/s/XPOQHMRABVBWPR-VNYCDKERSA-N.svg)
(4S)-6-Chloro-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
C14H9ClF3NO2
rac 7-Hydroxy Efavirenz-d4 (Major)
CAS 1189857-89-3C14H9ClF3NO3
8-Hydroxy-efavirenz D4
CAS 1217771-47-5C14H9ClF3NO3
rac Methyl Efavirenz
CAS 1217623-65-8C15H11ClF3NO2
rac-8,14-Bis(tert-butyldimethylsilyloxy) Efavirenz-d4
CAS 1329840-70-1C26H37ClF3NO4Si2
Methyl efavirenz
CAS 353270-76-5C15H11ClF3NO2
(rac)-Efavirenz-d5
CAS 2749807-27-8C14H9ClF3NO2
- Efavirenz (13C)61261394-62-0C14H9ClF3NO2
- Chloro efavirenz1322625-98-8C14H8Cl2F3NO2
- (S)-7,8-Dihydroxy efavirenz2454245-79-3C14H9ClF3NO4
- (R)-7,8-Dihydroxy efavirenz2724653-96-5C14H9ClF3NO4
- rac 7,14-Dihydroxy Efavirenz1702668-54-9C14H9ClF3NO4
- rac 7-Hydroxy Efavirenz 7-O-Sulfate1702668-51-6C14H9ClF3NO6S
- 8-Hydroxy efavirenz 8-O-sulfate252343-23-0C14H9ClF3NO6S
- rac 8,14-Dihydroxy Efavirenz 8-O-Sulfate1702668-58-3C14H9ClF3NO7S
Related scaffolds
Same ring framework with different atoms or bond orders
c1ccc2c(OCC3CO3)cccc2c12 chemicals
c1ccc2c(NCC3CO3)cccc2c12 chemicals
O=C1CCC(CCC2CO2)C2CCC=CC122 chemicals
O=C(NC1CC1)c1ccnc2ccccc121 chemical![Scaffold O=C(NC1CC1)c1cc(=S)[nH]c2ccccc12](/scaffold/COBBOATVYIUJJC-UHFFFAOYSA-N/structure.svg)
O=C(NC1CC1)c1cc(=S)[nH]c2ccccc121 chemical
c1ccc2c(c1)CCCC2OCC1CO11 chemical
O=c1ccc2ccccc2n1CCC1CC11 chemical![Scaffold O=C(NC1CC1)c1n[nH]c(=O)c2ccccc12](/scaffold/HLDLHCTVQIBNKZ-UHFFFAOYSA-N/structure.svg)
O=C(NC1CC1)c1n[nH]c(=O)c2ccccc121 chemical
O=C(Nc1cccc2ccccc12)C1CC11 chemical
S=C1Nc2ccccc2C(C#CC2CC2)O11 chemical
O=C(Oc1cccc2ccccc12)C1CC11 chemical
O=c1ccc2ccccc2n1OCC1CC11 chemical