Murcko scaffold
Ring system with 4 rings and 21 atoms
59 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 21
- Chemicals
- 59
- With full pages
- 8
Scaffold SMILES
N=c1ccc2c(-c3ccccc3)c3ccccc3oc-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.
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 59 chemicals
Ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoate
CAS 3373-01-1C28H30N2O3
Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt
CAS 30378-58-6C20H14N2O3
9-(2-Carboxylatophenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium
CAS 25152-49-2C26H26N2O3
Rhodamine 123 free base
C21H16N2O3
Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)
CAS 63549-46-2C20H16N2O7S
Tetrabromorhodamine 123
CAS 83796-96-7C21H13Br4ClN2O3
Amyl rhodamine
CAS 120167-03-5C25H24N2O3
Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-3H-xanthen-9-yl-, ethyl ester
CAS 14899-07-1C26H26N2O3
Rhodamine 123 (2)-tetrachloroplatinum
CAS 104114-28-5C42H34Cl4N4O6Pt
N,N'-Diethylrhodamine-
CAS 25794-80-3C24H22N2O3
3,6-Diamino-9-(2-carboxyphenyl)xanthenium
CAS 82182-00-1C20H15N2O3+
![6-Amino-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-iminium chemical structure, C21H17N2O3+, CAS 104114-27-4](/s/FCGVBHISQBBIQF-UHFFFAOYSA-O.svg)
6-Amino-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-iminium
CAS 104114-27-4C21H17N2O3+
Alexa fluor 555
CAS 1027930-57-9C21H14N2O11S2
TH-9402 free base
CAS 1373958-68-9C21H14Br2N2O3
Rhodamine 123
CAS 62669-70-9C21H17ClN2O3
TH-9402
CAS 174230-05-8C21H15Br2ClN2O3
TH-9402 hydrobromide
CAS 333957-97-4C21H15Br3N2O3
2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride
CAS 114984-30-4C20H15ClN2O3
Rhodamine 6G perchlorate
C28H31ClN2O7
Rhodamine 6G ethylenediamine amide bis (trifluoroacetate)
CAS 591742-74-4C32H34F6N4O6
Rhodamine 123 (hydrate)
CAS 207671-45-2C21H19ClN2O4
N-(8-Amino-3,6-dioxaoctyl)rhodamine 6G-amide bis(trifluoroacetate)
CAS 1173097-69-2C36H42F6N4O8
9-(4-Fluorophenyl)-3-imino-3H-xanthen-6-amine
CAS 936487-99-9C19H13FN2O
2-(3-Amino-6-imino-xanthen-9-yl)terephthalic acid
CAS 116763-30-5C21H14N2O5
- 2 suppliers4-(3-Amino-6-imino-xanthen-9-yl)benzene-1,3-dicarboxylic acid116763-35-0C21H14N2O5
- Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-, silicate97171-85-2C24H24N2O6Si
- Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdate97171-88-5C28H32MoN2O7
- Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, silicate97171-86-3C28H32N2O6Si
- Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-, molybdate97171-87-4C24H24MoN2O7
- Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, tungstate97171-90-9C28H32N2O7W
- [2-(3-Amino-6-iminoxanthen-9-yl)phenyl]methanol1629965-68-9C20H16N2O2
- APDye 488 AlkyneC24H17N3O10S2
- Basic red1071558-72-9C27H29ClN2O3
- 6-Methoxy-9-(2-methylphenyl)-3H-xanthen-3-imine1104876-24-5C21H17NO2
- 1 suppliersRhodamine 6G hexanediamine amide1140505-40-3C34H41F3N4O4
- 1 suppliersRhodamine 6G bis(oxyethylamino)ethane amide bis (trifluoroacetate)C36H42F6N4O8
- Carboxyrhodamine 110-PEG4-alkyne2055103-66-5C32H33N3O8
- Copper(1+), ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate, hydron, iron(2+), hexacyanide101033-43-6C34H31Cu3FeN8O3
- Platinum(2+) chloride--methyl 2-(6-amino-3-imino-3H-xanthen-9-yl)benzoate--hydrogen chloride (1/2/2/2)C42H34Cl4N4O6Pt
- Methyl 2-(6-amino-2,4,5,7-tetrabromo-3-imino-3H-xanthen-9-yl)benzoate--hydrogen chloride (1/1)208511-49-3C21H13Br4ClN2O3
- 3,6-Diamino-9-(2-carboxy-4-(hydrazinecarbonyl)phenyl)-5-sulfoxanthylium-4-sulfonate2500973-94-2C21H16N4O10S2
- 3,6-Diamino-9-(2-carboxy-4-(prop-2-yn-1-ylcarbamoyl)phenyl)-5-sulfoxanthylium-4-sulfonate1006592-47-7C24H17N3O10S2
- 3,6-Diamino-9-(4-((6-azidohexyl)carbamoyl)-2-carboxyphenyl)-5-sulfoxanthylium-4-sulfonate1006592-63-7C27H26N6O10S2
- Kyoto probe 12088021-81-0C21H14F4N2O3
- Af488-azide1679326-36-3C36H50N8O10S2
- 1 suppliersR6G azide, 5-isomer2135330-71-9C30H32N6O4
- Tetrabromorhodamine 123 bromide623903-26-4C21H13Br5N2O3
- 9-(4-Fluorophenyl)-3-imino-3H-xanthen-6-amine trifluoroacetateC21H14F4N2O3
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold [N+]=c1ccc2c(-c3ccccc3)c3ccccc3oc-2c1](/scaffold/RRGYMPZNWMYZJT-UHFFFAOYSA-N/structure.svg)
[N+]=c1ccc2c(-c3ccccc3)c3ccccc3oc-2c139 chemicals
O=c1ccc2c(-c3ccccc3)c3ccccc3oc-2c135 chemicals
O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)N220 chemicals
O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)O219 chemicals
O=C1c2ccccc2C(C2CCCCO2)c2ccccc2110 chemicals
c1ccc(C2c3ccccc3Oc3ccccc32)cc19 chemicals![Scaffold [N]=c1ccc2c(-c3ccccc3)c3ccccc3oc-2c1](/scaffold/KLTWFOBHAAFALL-UHFFFAOYSA-N/structure.svg)
[N]=c1ccc2c(-c3ccccc3)c3ccccc3oc-2c19 chemicals
c1ccc(-c2c3ccccc3nc3ccccc23)cc18 chemicals![Scaffold O=c1nc2n(-c3ccccc3)c3ccccc3cc-2c(=O)[nH]1](/scaffold/BBWFTVFLVHVBCD-UHFFFAOYSA-N/structure.svg)
O=c1nc2n(-c3ccccc3)c3ccccc3cc-2c(=O)[nH]15 chemicals
c1ccc(-c2c3ccccc3cc3ccccc23)cc15 chemicals
O=C1CCCC2=C1C(c1ccncc1)C1=C(CCCC1=O)N25 chemicals![Scaffold c1ccc(-[n+]2c3ccccc3nc3ccccc32)cc1](/scaffold/ZHVRTFLJDLJGSY-UHFFFAOYSA-N/structure.svg)
c1ccc(-[n+]2c3ccccc3nc3ccccc32)cc15 chemicals