Murcko scaffold
Ring system with 3 rings and 15 atoms
77 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 15
- Chemicals
- 77
- With full pages
- 16
Scaffold SMILES
[N+]=c1ccc2nc3ccccc3sc-2c1
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 [N+]=c1ccc2nc3ccccc3sc-2c1](/scaffold/NBGVUPDILUEXEV-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 77 chemicals
Methylene blue cation
CAS 7060-82-4C16H18N3S+
Methylene blue
CAS 61-73-4C16H18ClN3S
Tolonium chloride
CAS 92-31-9C15H16ClN3S
Tolonium
CAS 56109-24-1C15H16N3S+
Giemsa stain
CAS 51811-82-6C14H14ClN3S
3-Amino-7-(dimethylamino)phenothiazin-5-ium
CAS 29120-23-8C14H14N3S+
N,N-Dimethyl-7-(methylamino)-3H-phenothiazin-3-iminium chloride
CAS 1231958-32-9C15H16ClN3S
Azure B (11)
CAS 29260-45-5C15H16N3S+
Methylene green
CAS 2679-01-8C16H17ClN4O2S
3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium
CAS 6722-15-2C16H17N4O2S+
Methylene blue trihydrate
CAS 7220-79-3C16H24ClN3O3S
Dimethylmethylene blue
CAS 23481-50-7C18H22ClN3S
Phenothiazin-5-ium, 3,7-bis(dimethylamino)-1,9-dimethyl-
CAS 71481-78-2C18H22N3S+
3,7-Bis(diethylamino)phenothiazin-5-ium
CAS 58083-81-1C20H26N3S+
3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium chloride
CAS 2391-29-9C18H22ClN3S
3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium perchlorate
CAS 56109-48-9C15H16ClN3O4S
3-(Dibutylamino)-7-(dipropylamino)phenothiazin-5-ium iodide
CAS 813463-03-5C26H38IN3S
3-(Dipentylamino)-7-(dipropylamino)phenothiazin-5-ium iodide
CAS 813463-04-6C28H42IN3S
3-(Dimethylamino)-7-(dipropylamino)phenothiazin-5-ium iodide
CAS 813463-01-3C20H26IN3S
PS42 cation
CAS 748763-10-2C28H42N3S+
3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium tetrafluoroborate
CAS 79288-94-1C15H16BF4N3S
Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide
CAS 30189-85-6C28H42BrN3S
Tetramethylthionine hydroxide
CAS 613-10-5C16H19N3OS
3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium bromide
CAS 7508-40-9C15H16BrN3S
- N,N-Dimethyl-7-[methyl(propyl)amino]-3H-phenothiazin-3-iminium112363-05-0C18H22N3S+
- 3-((3-Carboxypropyl)(methyl)amino)-7-(dimethylamino)phenothiazin-5-ium chloride146426-07-5C19H22ClN3O2S
- Atto MB2182953-07-7C19H22N3O2S+
- Methylene Green zinc chloride double salt224967-52-6C32H34Cl4N8O4S2Zn
- 3 suppliers[7-(Dimethylamino)phenothiazin-3-ylidene]-dimethylazanium, chloride, hydrate122965-43-9C16H20ClN3OS
- 3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium thiocyanate85169-01-3C16H16N4S2
- 13 suppliersAzure II37247-10-2C31H34Cl2N6S2
- N,N-Dibutyl-7-(diethylamino)-9-methyl-3H-phenothiazin-3-iminium chloride6285-83-2C25H36ClN3S
- Phenothiazin-5-ium, 3-(diethylamino)-7-(dimethylamino)-, chloride, compd. with zinc chloride (ZnCl2)6990-74-5C18H22Cl3N3SZn
- 7-(Diethylamino)-N,N-diethyl-3H-phenothiazin-3-iminium chloride108602-20-6C20H26ClN3S
- 7-(Dimethylamino)-1,9-diethyl-N,N-dimethyl-3H-phenothiazin-3-iminium chloride881426-23-9C20H26ClN3S
- [7-(Dimethylamino)phenothiazin-3-ylidene]-dimethylazanium iodide4727-46-2C16H18IN3S
- 3,7-Bis(diethylamino)phenothiazin-5-ium iodide439119-93-4C20H26IN3S
- N,N-Dibutyl-7-(dibutylamino)-3H-phenothiazin-3-iminium chloride67389-41-7C28H42ClN3S
- 1 suppliersMethylene Blue, zinc chloride double salt26283-09-0C32H36Cl4N6S2Zn
- 3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium sulphate (2:1)84145-76-6C30H32N6O4S3
- 3-(Diethylamino)-7-(dimethylamino)phenothiazin-5-ium tetrachlorozincate (2:1)93941-83-4C36H44Cl4N6S2Zn
- 3,7-Bis(dimethylamino)phenothiazin-5-ium perchlorate13018-79-6C16H18ClN3O4S
- 3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium iodide85169-00-2C15H16IN3S
- Methylred-methyleneblue1427435-74-2C31H33ClN6O2S
- 3-((2-(Diethylamino)ethyl)(ethyl)amino)-7-(dihexylamino)phenothiazin-5-ium iodide1241913-73-4C32H51IN4S
- 3-(Dibutylamino)-7-((2-(diethylamino)ethyl)(ethyl)amino)phenothiazin-5-ium iodide1241913-70-1C28H43IN4S
- 3,7-Bis(bis(3-(dimethylamino)propyl)amino)phenothiazin-5-ium bromide1241913-69-8C32H54BrN7S
- 3-(Bis(3-(dimethylamino)propyl)amino)-7-(dipropylamino)phenothiazin-5-ium iodide1241913-75-6C28H44IN5S
Related scaffolds
Same ring framework with different atoms or bond orders
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c1ccc2cc3ccccc3cc2c1150 chemicals
c1ccc2nc3ccccc3cc2c1135 chemicals![Scaffold N=c1ccc2c(=O)n3ccccc3nc2[nH]1](/scaffold/VYCVENITSCHWDL-UHFFFAOYSA-N/structure.svg)
N=c1ccc2c(=O)n3ccccc3nc2[nH]179 chemicals![Scaffold O=c1c2ccccc2[nH]c2ccccc12](/scaffold/FZEYVTFCMJSGMP-UHFFFAOYSA-N/structure.svg)
O=c1c2ccccc2[nH]c2ccccc1254 chemicals
c1ccc2nc3ccccc3nc2c148 chemicals
c1ccc2c(c1)Oc1ccccc1O247 chemicals
c1ccc2c(c1)Cc1ccccc1O246 chemicals![Scaffold O=c1nc2[nH]c3ccccc3nc-2c(=O)[nH]1](/scaffold/HAUGRYOERYOXHX-UHFFFAOYSA-N/structure.svg)
O=c1nc2[nH]c3ccccc3nc-2c(=O)[nH]135 chemicals
c1ccc2nc3c(cc2c1)CCCC335 chemicals