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Murcko scaffold

Ring system with 3 rings and 20 atoms

32 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 20
Chemicals: 32
With full pages: 1

Scaffold SMILES

c1ccc(COC2OCCNC2c2ccccc2)cc1

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.

Substructure search with this scaffold

Murcko scaffold c1ccc(COC2OCCNC2c2ccccc2)cc1

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

Ctk4F7856 chemical structure, C24H20F7NO3, CAS 264197-41-3

CAS 264197-41-3C₂₄H₂₀F₇NO₃

2-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl) morpholine, (2R,3S)- chemical structure, C20H18F7NO2, CAS 171338-27-5

2-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl) morpholine, (2R,3S)-

CAS 171338-27-5C₂₀H₁₈F₇NO₂

(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride chemical structure, C20H19ClF7NO2, CAS 171482-05-6

(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride

CAS 171482-05-6C₂₀H₁₉ClF₇NO₂

2-[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]acetic acid chemical structure, C22H20F7NO4, CAS 419574-15-5

2-[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]acetic acid

CAS 419574-15-5C₂₂H₂₀F₇NO₄

Aprepitant open-ring methyl ester impurity chemical structure, C24H25F7N4O4

Aprepitant open-ring methyl ester impurity

C₂₄H₂₅F₇N₄O₄

Aprepitant impurity 40 chemical structure, C20H19F6NO2, CAS 170729-74-5

Aprepitant impurity 40

CAS 170729-74-5C₂₀H₁₉F₆NO₂

2-(R)-(1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine chemical structure, C20H19F6NO2, CAS 171338-33-3

2-(R)-(1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine

CAS 171338-33-3C₂₀H₁₉F₆NO₂

Aprepitant open ring methyl ester chemical structure, C24H25F7N4O4, CAS 219821-37-1

Aprepitant open ring methyl ester

CAS 219821-37-1C₂₄H₂₅F₇N₄O₄

4-Methylbenzene-1-sulfonic acid--(2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine (1/1) chemical structure, C27H26F7NO5S, CAS 200000-59-5

4-Methylbenzene-1-sulfonic acid--(2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine (1/1)

CAS 200000-59-5C₂₇H₂₆F₇NO₅S

(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-prop-2-ynylmorpholine chemical structure, C23H20F7NO2, CAS 171243-11-1

(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-prop-2-ynylmorpholine

CAS 171243-11-1C₂₃H₂₀F₇NO₂

(2R,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine chemical structure, C20H18F7NO2, CAS 380499-06-9

(2R,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine

CAS 380499-06-9C₂₀H₁₈F₇NO₂

(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine chemical structure, C20H18F7NO2

(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine

C₂₀H₁₈F₇NO₂

(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(3-fluorophenyl)morpholine chemical structure, C20H18F7NO2, CAS 172678-47-6

(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(3-fluorophenyl)morpholine

CAS 172678-47-6C₂₀H₁₈F₇NO₂

2-(R)-[1-(S)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine chemical structure, C20H18F7NO2, CAS 170729-79-0

2-(R)-[1-(S)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine

CAS 170729-79-0C₂₀H₁₈F₇NO₂

Fosaprepitant morpholine chemical structure, C20H18F7NO2, CAS 170902-80-4

Fosaprepitant morpholine

CAS 170902-80-4C₂₀H₁₈F₇NO₂

(2S,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholine chemical structure, C20H19F6NO2, CAS 170902-78-0

(2S,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholine

CAS 170902-78-0C₂₀H₁₉F₆NO₂

(2R,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride chemical structure, C20H19ClF7NO2, CAS 1447693-83-5

(2R,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride

CAS 1447693-83-5C₂₀H₁₉ClF₇NO₂

2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-d2 chemical structure, C20H18F7NO2, CAS 1217645-68-5

2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-d2

CAS 1217645-68-5C₂₀H₁₈F₇NO₂

2-(R)-[1-(S)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-d2 chemical structure, C20H18F7NO2, CAS 1217725-13-7

2-(R)-[1-(S)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-d2

CAS 1217725-13-7C₂₀H₁₈F₇NO₂

(2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride chemical structure, C20H19ClF7NO2, CAS 1333998-21-2

(2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride

CAS 1333998-21-2C₂₀H₁₉ClF₇NO₂

(2R,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine chemical structure, C20H18F7NO2, CAS 1242175-36-5

(2R,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

CAS 1242175-36-5C₂₀H₁₈F₇NO₂

(2S,3S)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine chemical structure, C20H18F7NO2, CAS 1242175-38-7

(2S,3S)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine

CAS 1242175-38-7C₂₀H₁₈F₇NO₂

(2S,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine chemical structure, C20H18F7NO2, CAS 327623-37-0

(2S,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

CAS 327623-37-0C₂₀H₁₈F₇NO₂

Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant chemical structure, C20H18F7NO2, CAS 1185503-48-3

Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant

CAS 1185503-48-3C₂₀H₁₈F₇NO₂