Murcko scaffold

Ring system with 4 rings and 18 atoms

38 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 18
Chemicals: 38
With full pages: 7

Scaffold SMILES

c1ccc2c(c1)Oc1ccccc1C1CNCC21

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 c1ccc2c(c1)Oc1ccccc1C1CNCC21

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 38 of 38 chemicals

Asenapine

CAS 65576-45-6C₁₇H₁₆ClNO

Trans-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole (e)-2-butenedioate

CAS 65576-39-8C₁₇H₁₆ClNO

(R,R)-Asenapine maleate

CAS 135883-16-8C₂₁H₂₀ClNO₅

Asenapine maleate

CAS 85650-56-2C₂₁H₂₀ClNO₅

5-Chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo(2,3:6,7)oxepino(4,5-c)pyrrole

CAS 158018-50-9C₁₇H₁₆ClNO

1H-Dibenz(2,3:6,7)oxepino(4,5-c)pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, cis-

CAS 65621-78-5C₁₇H₁₆ClNO

9-Chloro-4-methyl-4-oxido-13-oxa-4-azoniatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene

CAS 128949-51-9C₁₇H₁₆ClNO₂

$(2Z)-But-2-enedioic acid, 9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(18),7,9,11,14,16-hexaene chemical structure, C21H20ClNO5, CAS 1449581-64-9$

(2Z)-But-2-enedioic acid, 9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(18),7,9,11,14,16-hexaene

CAS 1449581-64-9C₂₁H₂₀ClNO₅

Asenapine-d3

CAS 1180843-72-4C₁₇H₁₆ClNO

Deschloro acenapine

CAS 1847487-56-2C₁₇H₁₇NO

N-Desmethyl asenapine

CAS 128915-56-0C₁₆H₁₄ClNO

N-Desmethyl asenapine hydrochloride

CAS 1170701-78-6C₁₆H₁₅Cl₂NO

Asenapine-13C,d3

CAS 1217729-73-1C₁₇H₁₆ClNO

Asenapine hydrochloride

CAS 1412458-61-7C₁₇H₁₇Cl₂NO

11-Hydroxyasenapine

CAS 1262639-38-2C₁₇H₁₆ClNO₂

11-Hydroxyasenapine-13CD3

CAS 1391744-99-2C₁₇H₁₆ClNO₂

Asenapine 11-hydroxysulfate-13CD3

CAS 1391745-00-8C₁₇H₁₆ClNO₅S

N-Desmethyl asenapine hydrochloride

C₁₆H₁₅Cl₂NO

cis-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole maleate

CAS 85650-55-1C₂₁H₂₀ClNO₅

10,11-Dihydroxyasenapine

CAS 1262639-50-8C₁₇H₁₆ClNO₃

$(2S,6S)-9-Chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(18),7,9,11,14,16-hexaene, (2Z)-but-2-enedioic acid chemical structure, C21H20ClNO5, CAS 135883-08-8$