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Murcko scaffold

Ring system with 6 rings and 28 atoms

32 chemicals on CompoundList share this ring system.

Rings: 6
Scaffold atoms: 28
Chemicals: 32
With full pages: 10

Scaffold SMILES

O=C1NCC(=O)N2C1Cc1c([nH]c3ccccc13)C2c1ccc2c(c1)OCO2

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=C1NCC(=O)N2C1Cc1c([nH]c3ccccc13)C2c1ccc2c(c1)OCO2

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

Tadalafil chemical structure, C22H19N3O4, CAS 171596-29-5

CAS 171596-29-5C₂₂H₁₉N₃O₄

2-(1,3-Benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione chemical structure, C22H19N3O4, CAS 304683-09-8

2-(1,3-Benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

CAS 304683-09-8C₂₂H₁₉N₃O₄

Propan-2-yl 3-[(2R,5S,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C27H27N3O6, CAS 395665-41-5

Propan-2-yl 3-[(2R,5S,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate

CAS 395665-41-5C₂₇H₂₇N₃O₆

Nortadalafil chemical structure, C21H17N3O4, CAS 171596-36-4

CAS 171596-36-4C₂₁H₁₇N₃O₄

Tadalafil, (6R,12aS)- chemical structure, C22H19N3O4, CAS 171596-27-3

Tadalafil, (6R,12aS)-

CAS 171596-27-3C₂₂H₁₉N₃O₄

Tadalafil, (6S,12aR)- chemical structure, C22H19N3O4, CAS 171596-28-4

Tadalafil, (6S,12aR)-

CAS 171596-28-4C₂₂H₁₉N₃O₄

(2R,8R)-2-(1,3-Benzodioxol-5-yl)-6-propan-2-yl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione chemical structure, C24H23N3O4, CAS 171596-30-8

(2R,8R)-2-(1,3-Benzodioxol-5-yl)-6-propan-2-yl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

CAS 171596-30-8C₂₄H₂₃N₃O₄

Tadalafil, (6S,12aS)- chemical structure, C22H19N3O4, CAS 629652-72-8

Tadalafil, (6S,12aS)-

CAS 629652-72-8C₂₂H₁₉N₃O₄

(6R,12AR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12A-hexahydro-2-hydroxypyrazino[1',2':1,6]pyrido[3,4-B]indole-1,4-dione chemical structure, C21H17N3O5, CAS 385769-80-2

(6R,12AR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12A-hexahydro-2-hydroxypyrazino[1',2':1,6]pyrido[3,4-B]indole-1,4-dione

CAS 385769-80-2C₂₁H₁₇N₃O₅

Ethyl 3-[(2R,5S,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C26H25N3O6, CAS 395665-81-3

Ethyl 3-[(2R,5S,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate

CAS 395665-81-3C₂₆H₂₅N₃O₆

2-Hydroxyethyl nortadalafil chemical structure, C23H21N3O5, CAS 1639860-36-8

2-Hydroxyethyl nortadalafil

CAS 1639860-36-8C₂₃H₂₁N₃O₅

tert-Butyl 3-[(2R,5S,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C28H29N3O6, CAS 395665-39-1

tert-Butyl 3-[(2R,5S,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate

CAS 395665-39-1C₂₈H₂₉N₃O₆

Aminotadalafil chemical structure, C21H18N4O4, CAS 385769-84-6

CAS 385769-84-6C₂₁H₁₈N₄O₄

Tadalafil impurity 19 chemical structure, C23H21N3O4, CAS 477970-21-1

Tadalafil impurity 19

CAS 477970-21-1C₂₃H₂₁N₃O₄

3-[(2R,5S,8R)-2-(1,3-Benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoic acid chemical structure, C24H21N3O6, CAS 395665-40-4

3-[(2R,5S,8R)-2-(1,3-Benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoic acid

CAS 395665-40-4C₂₄H₂₁N₃O₆

(3S,6R,12aR)-6-(Benzo[d][1,3]dioxol-5-yl)-3-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione chemical structure, C22H19N3O4, CAS 187935-15-5

(3S,6R,12aR)-6-(Benzo[d][1,3]dioxol-5-yl)-3-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

CAS 187935-15-5C₂₂H₁₉N₃O₄

N-Butyl nortadalafil chemical structure, C25H25N3O4, CAS 171596-31-9

N-Butyl nortadalafil

CAS 171596-31-9C₂₅H₂₅N₃O₄

$(2R)-2-(1,3-Dioxaindan-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11(16),12,14-tetraene-4,7-dione chemical structure, C22H19N3O4, CAS 378788-17-1$

(2R)-2-(1,3-Dioxaindan-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11(16),12,14-tetraene-4,7-dione

CAS 378788-17-1C₂₂H₁₉N₃O₄

N-Octylnortadalafil chemical structure, C29H33N3O4, CAS 1173706-35-8

N-Octylnortadalafil

CAS 1173706-35-8C₂₉H₃₃N₃O₄

Aminotadalafil, (6S, 12aR)- chemical structure, C21H18N4O4, CAS 1093940-70-5

Aminotadalafil, (6S, 12aR)-

CAS 1093940-70-5C₂₁H₁₈N₄O₄

Tadalafil impurity 75 chemical structure, C21H18N4O4, CAS 1093940-68-1

Tadalafil impurity 75

CAS 1093940-68-1C₂₁H₁₈N₄O₄

Tadalafil-d3 chemical structure, C22H19N3O4, CAS 960226-55-5

CAS 960226-55-5C₂₂H₁₉N₃O₄

Tadalafil-13C,d3 chemical structure, C22H19N3O4, CAS 1261364-86-6

Tadalafil-13C,d3

CAS 1261364-86-6C₂₂H₁₉N₃O₄

cis-Ent-Tadalafil-d3 chemical structure, C22H19N3O4, CAS 1329799-70-3

cis-Ent-Tadalafil-d3

CAS 1329799-70-3C₂₂H₁₉N₃O₄