Murcko scaffold
Ring system with 8 rings and 40 atoms
32 chemicals on CompoundList share this ring system.
- Rings
- 8
- Scaffold atoms
- 40
- Chemicals
- 32
- With full pages
- 8
Scaffold SMILES
O=C(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1CNC2Cc3c[nH]c4cccc(c34)C2C1
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(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1CNC2Cc3c[nH]c4cccc(c34)C2C1](/scaffold/IASBHQMENXVTCM-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 32 of 32 chemicals
Dihydroergotamine
CAS 511-12-6C33H37N5O5
Dihydroergotamine mesylate
CAS 6190-39-2C34H41N5O8S
Dihydroergocristine
CAS 17479-19-5C35H41N5O5
Briserin
CAS 55128-93-3C83H104ClN10O20S2-
Dihydroergostin
CAS 3609-19-6C34H39N5O5
Dihydergot plus
CAS 81643-69-8C45H58N6O10S
Dihydroergotoxine, raubasine drug combination
CAS 96743-85-0C56H65N7O8
Dihydroergocristine mesylate
CAS 24730-10-7C36H45N5O8S
Dihydroergotamine tartrate
CAS 5989-77-5C70H80N10O16
L-Tryptophan, 5-hydroxy-, mixt. with (5'alpha,10alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methyethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
CAS 115756-35-9C46H53N7O8
Ersilan
CAS 135556-19-3C44H53N9O8
Ergotoxine, dihydro-, monoethanesulfonate (salt)
CAS 1401-12-3C37H47N5O8S
Dihydroergotoxine
CAS 11032-41-0C34H41N5O8S
Dihydro ergotamine impurity 8
CAS 910882-41-6C33H37N5O5
Acidihydroergocristine
CAS 76189-70-3C35H41N5O5
Silentan
CAS 79084-81-4C103H111ClN16O23
Defluina
CAS 52623-83-3C91H110N12O19S2
Chrystepin CH
CAS 80434-87-3C82H92ClN9O18S
8'-Hydroxydihydroergotamine
CAS 90650-44-5C33H37N5O6
Dihydroergocristine esilate
CAS 60745-55-3C37H47N5O8S
Ergocristine, dihydro-, tartrate
CAS 102489-75-8C39H47N5O11
Dihydro ergotamine-13C,d3 mesylate
CAS 1356841-81-0C34H41N5O8S
Flurdihydroergotamine
CAS 1416417-27-0C34H36F3N5O5
8'-Hydroxy-dihydroergocristine
CAS 883718-08-9C35H41N5O6
- 5'Alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione mono(2-hydroxyethanesulphonate)85081-56-7C37H47N5O9S
- Dihydroergotoxine mesylate, esculoside, rutoside drug combination61498-93-9C78H91N5O33S
- Ergo-lonarid77097-84-8C74H95N12O23P
- (5'Alpha,10alpha)-6-demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione57123-71-4C32H35N5O5
- 6-Nor-6-cyanodihydroergotamine129882-18-4C33H34N6O5
- 5'Alpha-benzyl-10alpha,12'-dihydroxy-2'-methyl-3',6',18-trioxo-8alpha-9,10-dihydroergotaman596-86-1C33H37N5O6
- 9,10-Dihydroergocristine monohydrochloride72126-35-3C35H42ClN5O5
- 9,10-Dihydroergotamine N-oxide84094-90-6C33H37N5O6
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1](/scaffold/CYGWYEFFBAGUPZ-UHFFFAOYSA-N/structure.svg)