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Murcko scaffold

Ring system with 3 rings and 21 atoms

23 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
23
With full pages
3
Scaffold SMILES

O=C(NCC(=O)N1CCCC1)c1ccnc2ccccc12

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 O=C(NCC(=O)N1CCCC1)c1ccnc2ccccc12

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 23 of 23 chemicals

N-(2-((2S)-2-Cyano-4,4-difluoro-1-pyrrolidinyl)-2-oxoethyl)-4-quinolinecarboxamide chemical structure, C17H14F2N4O2, CAS 1448440-52-5
N-(2-((2S)-2-Cyano-4,4-difluoro-1-pyrrolidinyl)-2-oxoethyl)-4-quinolinecarboxamide
CAS 1448440-52-5C17H14F2N4O2
(S)-N-(2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide chemical structure, C17H16N4O2, CAS 1428264-45-2
(S)-N-(2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide
CAS 1428264-45-2C17H16N4O2
(S)-N-(2-(2-Cyanopyrrolidine-1-yl)-2-oxoethyl)-6-fluoroquinoline-4-carboxamide chemical structure, C17H15FN4O2, CAS 1428264-69-0
(S)-N-(2-(2-Cyanopyrrolidine-1-yl)-2-oxoethyl)-6-fluoroquinoline-4-carboxamide
CAS 1428264-69-0C17H15FN4O2
N-[2-[[(2S)-4,4-Difluoro-2alpha-cyanopyrrolidine]-1-yl]-2-oxoethyl]-6-methoxyquinoline-4-carboxamide chemical structure, C18H16F2N4O3, CAS 1448440-66-1
N-[2-[[(2S)-4,4-Difluoro-2alpha-cyanopyrrolidine]-1-yl]-2-oxoethyl]-6-methoxyquinoline-4-carboxamide
CAS 1448440-66-1C18H16F2N4O3
(S)-N-(2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)-6-hydroxyquinoline-4-carboxamide chemical structure, C17H16N4O3, CAS 2674092-12-5
(S)-N-(2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)-6-hydroxyquinoline-4-carboxamide
CAS 2674092-12-5C17H16N4O3
N-(2-((2S)-2-Cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-6-hydroxyquinoline-4-carboxamide chemical structure, C17H14F2N4O3, CAS 2624108-87-6
N-(2-((2S)-2-Cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-6-hydroxyquinoline-4-carboxamide
CAS 2624108-87-6C17H14F2N4O3
tert-Butyl (S)-4-((4-((2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)butanoate chemical structure, C25H28F2N4O5, CAS 2938229-53-7
tert-Butyl (S)-4-((4-((2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)butanoate
CAS 2938229-53-7C25H28F2N4O5
NH2-Uamc1110 chemical structure, C21H23F2N5O3, CAS 2758337-19-6
NH2-Uamc1110
CAS 2758337-19-6C21H23F2N5O3
OncoFAP chemical structure, C21H19F2N5O5, CAS 2639365-69-6
OncoFAP
CAS 2639365-69-6C21H19F2N5O5
(S)-8-Amino-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide chemical structure, C17H15F2N5O2, CAS 2639365-68-5
(S)-8-Amino-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide
CAS 2639365-68-5C17H15F2N5O2
OncoFAP-Asp-Lys-Asp-Cys-SH chemical structure, C38H46F2N10O13S, CAS 2639365-70-9
OncoFAP-Asp-Lys-Asp-Cys-SH
CAS 2639365-70-9C38H46F2N10O13S
NH2-Uamc1110 tfa chemical structure, C23H24F5N5O5, CAS 2990021-73-1
NH2-Uamc1110 tfa
CAS 2990021-73-1C23H24F5N5O5
(S)-N1-(4-aminobutyl)-N4-(4-((2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-8-yl)succinamide 2,2,2-trifluoroacetic acid chemical structure, C27H30F5N7O6, CAS 3037649-94-5
(S)-N1-(4-aminobutyl)-N4-(4-((2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-8-yl)succinamide 2,2,2-trifluoroacetic acid
CAS 3037649-94-5C27H30F5N7O6
(S)-6-(2-(2-Aminoethoxy)ethoxy)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide chemical structure, C21H23F2N5O4, CAS 2579689-16-8
(S)-6-(2-(2-Aminoethoxy)ethoxy)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide
CAS 2579689-16-8C21H23F2N5O4
(S)-6-(2-((2-Aminoethyl)amino)-2-oxoethoxy)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide chemical structure, C21H22F2N6O4, CAS 2674144-42-2
(S)-6-(2-((2-Aminoethyl)amino)-2-oxoethoxy)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide
CAS 2674144-42-2C21H22F2N6O4
(S)-2-((4-((2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-7-yl)oxy)acetic acid chemical structure, C19H18N4O5, CAS 3028310-12-2
(S)-2-((4-((2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-7-yl)oxy)acetic acid
CAS 3028310-12-2C19H18N4O5
N-[2-[(2R)-2-Cyano-4,4-difluoro-pyrrolidin-1-yl]-2-oxo-ethyl]quinoline-4-carboxamide chemical structure, C17H14F2N4O2, CAS 2748287-56-9
N-[2-[(2R)-2-Cyano-4,4-difluoro-pyrrolidin-1-yl]-2-oxo-ethyl]quinoline-4-carboxamide
CAS 2748287-56-9C17H14F2N4O2
Fap-IN-4 chemical structure, C30H34F3N5O6S, CAS 3020777-05-0
Fap-IN-4
CAS 3020777-05-0C30H34F3N5O6S
OncoFAP-EN chemical structure, C23H25F2N7O4, CAS 2964394-21-4
OncoFAP-EN
CAS 2964394-21-4C23H25F2N7O4
N-{2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}-6-iodoquinoline-4-carboxamide chemical structure, C17H15IN4O2, CAS 3057547-76-6
N-{2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}-6-iodoquinoline-4-carboxamide
CAS 3057547-76-6C17H15IN4O2
(S)-4-((4-((2-(2-Cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)butanoic acid chemical structure, C21H20F2N4O5, CAS 2846085-54-7
(S)-4-((4-((2-(2-Cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)butanoic acid
CAS 2846085-54-7C21H20F2N4O5
FAP-N-Me-beta-Ala chemical structure, C21H21F2N5O4, CAS 3032796-52-1
FAP-N-Me-beta-Ala
CAS 3032796-52-1C21H21F2N5O4
FAP-PEG3-amine chemical structure, C25H30F2N6O6, CAS 2757665-35-1
FAP-PEG3-amine
CAS 2757665-35-1C25H30F2N6O6