Murcko scaffold
Ring system with 4 rings and 25 atoms
42 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 25
- Chemicals
- 42
- With full pages
- 11
Scaffold SMILES
O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nc2cn[nH]c12
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.
![Murcko scaffold O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nc2cn[nH]c12](/scaffold/LRNYIYFUJPBPSA-UHFFFAOYSA-N/structure.svg)
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 42 of 42 chemicals
Sildenafil
CAS 139755-83-2C22H30N6O4S
Sildenafil citrate
CAS 171599-83-0C28H38N6O11S
Sildenafil mesylate
CAS 1308285-21-3C23H34N6O7S2
Sildenafil HCl
CAS 252920-86-8C22H31ClN6O4S
Aildenafil
CAS 496835-35-9C23H32N6O4S
Lodenafil
CAS 139755-85-4C23H32N6O5S
Desmethylsildenafil
CAS 139755-82-1C21H28N6O4S
Sildenafil nitrate
CAS 252951-59-0C22H31N7O7S
Propoxyphenyl homohydroxysildenafil
CAS 139755-87-6C24H34N6O5S
Pyrazole N-demethyl sildenafil
CAS 139755-95-6C21H28N6O4S
![5-[5-(3,5-Dimethylpiperazin-1-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one chemical structure, C23H32N6O4S, CAS 1416130-63-6](/s/NFSWSZIPXJAYLR-UHFFFAOYSA-N.svg)
5-[5-(3,5-Dimethylpiperazin-1-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CAS 1416130-63-6C23H32N6O4S
Homosildenafil
CAS 642928-07-2C23H32N6O4S
Isosildenafil
CAS 253178-46-0C22H30N6O4S
Despropyl isobutyl sildenafil
CAS 1391053-95-4C23H32N6O4S
o-Desethyl sildenafil
CAS 139755-91-2C20H26N6O4S
Propoxyphenyl aildenafil
CAS 1391053-82-9C24H34N6O4S
Propoxyphenyl sildenafil
CAS 877777-10-1C23H32N6O4S
Propoxyphenyl isobutyl aildenafil
CAS 1621873-33-3C25H36N6O4S
Sildenafil N-oxide
CAS 1094598-75-0C22H30N6O5S
![5-(2-Ethoxy-5-((4-isopropylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one chemical structure, C24H34N6O4S, CAS 139755-84-3](/s/OJECJYBJIYAQBH-UHFFFAOYSA-N.svg)
5-(2-Ethoxy-5-((4-isopropylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CAS 139755-84-3C24H34N6O4S
Sildenafil impurity 224
CAS 1440961-59-0C22H30N6O4S
Sildenafil-d5
CAS 951385-70-9C22H30N6O4S
5-(2-Ethoxy-5-(4-methyl(~2~H_8_)piperazine-1-sulfonyl)phenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one
CAS 951385-68-5C22H30N6O4S
5-(2-Ethoxy-5-(4-(~2~H_3_)methylpiperazine-1-sulfonyl)phenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one
CAS 1126745-90-1C22H30N6O4S
- Sildenafil-d3-11126745-87-6C22H30N6O4S
- 1 suppliersN-(Desmethyl)-tert-butyl Acetate Sildenafil398507-63-6C26H36N6O6S
- 5-(2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one139755-92-3C20H26N6O4S
- 5-(2-Ethoxy-5-((2,2,3,3,5,5,6,6-~2~H_8_)piperazine-1-sulfonyl)phenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one1185168-06-2C21H28N6O4S
- Homo sildenafil-d51216711-61-3C23H32N6O4S
- Pyrazole N-demethyl sildenafil-d31185044-03-4C21H28N6O4S
- Iso sildenafil-d31794829-17-6C22H30N6O4S
- Methisosildenafil-d41246819-66-8C23H32N6O4S
- Desethyl sildenafil-d31346603-75-5C20H26N6O4S
- 5-(2-Ethoxy-5-((4-(hydroxymethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one398507-65-8C22H30N6O5S
- 5-(2-Fluoro-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one298214-47-8C20H25FN6O3S
- 1,6-Dihydro-5-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one263897-18-3C21H28N6O4S
- Desmethylsildenafil-d8 citrate1215071-06-9C27H36N6O11S
- N-Desmethyl sildenafil hemicitrate2319839-04-6C27H36N6O11S
- rel-5-(2-Ethoxy-5-(((3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one1425504-78-4C25H36N6O4S
- 5-[5-(3,5-Dimethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one2253964-66-6C25H36N6O4S
- Sildenafil D8 citrate1215071-03-6C28H38N6O11S
- 3-[4-(4-Ethoxy-3-{1-methyl-7-oxo-3-propyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}benzenesulfonyl)piperazin-1-yl]-3-oxopropanoic acid2624125-86-4C24H30N6O7S
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nn2cncc12](/scaffold/UVPSJINCEDPYSG-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nn2cncc128 chemicals![Scaffold O=S(=O)(c1cccc(-c2nc(=S)c3[nH]ncc3[nH]2)c1)N1CCNCC1](/scaffold/PEUSZVNHWIZOBD-UHFFFAOYSA-N/structure.svg)
O=S(=O)(c1cccc(-c2nc(=S)c3[nH]ncc3[nH]2)c1)N1CCNCC13 chemicals![Scaffold O=c1[nH]c(-c2cncc(S(=O)(=O)N3CCNCC3)c2)nc2c[nH]nc12](/scaffold/MPNOZHXRDHYFJX-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(-c2cncc(S(=O)(=O)N3CCNCC3)c2)nc2c[nH]nc122 chemicals![Scaffold O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nc2[nH]ccc12](/scaffold/GQDXOQWFKPDDCC-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nc2[nH]ccc121 chemical![Scaffold O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1](/scaffold/IMLMBHVOASBVOW-UHFFFAOYSA-N/structure.svg)
O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc11 chemical![Scaffold O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nn2cncc12](/scaffold/LSJIYSXGEZGAJJ-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nn2cncc121 chemical![Scaffold c1cc(-c2ccc3nc[nH]c3c2)nc(NC2CCOCC2)n1](/scaffold/QQVWMQKGEOKPQH-UHFFFAOYSA-N/structure.svg)
c1cc(-c2ccc3nc[nH]c3c2)nc(NC2CCOCC2)n11 chemical![Scaffold O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc2cn[nH]c12](/scaffold/SLISYDJJZXDCEK-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc2cn[nH]c121 chemical
O=C(c1ccccc1)N1CCOC(c2ccc3c(c2)OCO3)O11 chemical![Scaffold O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nc2cc[nH]c12](/scaffold/ULPWPCBOMHIUSB-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nc2cc[nH]c121 chemical