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Murcko scaffold

Ring system with 4 rings and 24 atoms

25 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
25
With full pages
3
Scaffold SMILES

O=c1[nH]ncn1-c1ccc(N2CCN(c3ccccc3)CC2)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 O=c1[nH]ncn1-c1ccc(N2CCN(c3ccccc3)CC2)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 25 of 25 chemicals

2-sec-Butyl-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one, (R)- chemical structure, C23H29N5O2, CAS 149809-44-9
2-sec-Butyl-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one, (R)-
CAS 149809-44-9C23H29N5O2
2-sec-Butyl-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one, (S)- chemical structure, C23H29N5O2, CAS 153896-47-0
2-sec-Butyl-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one, (S)-
CAS 153896-47-0C23H29N5O2
2,4-Dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-((1R)-1-methylpropyl)-3H-1,2,4-triazol-3-one chemical structure, C22H27N5O2, CAS 125235-74-7
2,4-Dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-((1R)-1-methylpropyl)-3H-1,2,4-triazol-3-one
CAS 125235-74-7C22H27N5O2
2,4-Dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-((1S)-1-methylpropyl)-3H-1,2,4-triazol-3-one chemical structure, C22H27N5O2, CAS 125235-31-6
2,4-Dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-((1S)-1-methylpropyl)-3H-1,2,4-triazol-3-one
CAS 125235-31-6C22H27N5O2
2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one chemical structure, C19H21N5O2, CAS 74853-07-9
2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one
CAS 74853-07-9C19H21N5O2
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one chemical structure, C22H27N5O2, CAS 106461-41-0
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
CAS 106461-41-0C22H27N5O2
2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one chemical structure, C23H29N5O2, CAS 252964-68-4
2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
CAS 252964-68-4C23H29N5O2
2-(1-Ethylpropyl)-2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one chemical structure, C24H31N5O2, CAS 184177-74-0
2-(1-Ethylpropyl)-2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
CAS 184177-74-0C24H31N5O2
Itraconazole hydroxy propyltriazolone impurity chemical structure, C21H25N5O2, CAS 79538-91-3
Itraconazole hydroxy propyltriazolone impurity
CAS 79538-91-3C21H25N5O2
2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylethyl)-3H-1,2,4-triazol-3-one chemical structure, C22H27N5O2, CAS 89848-14-6
2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylethyl)-3H-1,2,4-triazol-3-one
CAS 89848-14-6C22H27N5O2
Itraconazole hydroxy isopropyltriazolone impurity chemical structure, C21H25N5O2, CAS 89848-19-1
Itraconazole hydroxy isopropyltriazolone impurity
CAS 89848-19-1C21H25N5O2
Itraconazole hydroxy butyltriazolone impurity chemical structure, C22H27N5O2, CAS 89848-20-4
Itraconazole hydroxy butyltriazolone impurity
CAS 89848-20-4C22H27N5O2
4-[4-[4-(4-Hydroxyphenyl)piperazin-1-yl]phenyl]-2-(3-oxobutan-2-yl)-1,2,4-triazol-3-one chemical structure, C22H25N5O3, CAS 112559-69-0
4-[4-[4-(4-Hydroxyphenyl)piperazin-1-yl]phenyl]-2-(3-oxobutan-2-yl)-1,2,4-triazol-3-one
CAS 112559-69-0C22H25N5O3
1-(3-Hydroxybutan-2-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one chemical structure, C22H27N5O3, CAS 125272-25-5
1-(3-Hydroxybutan-2-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
CAS 125272-25-5C22H27N5O3
2,4-Dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-5-methyl-2-(1-methylethyl)-3H-1,2,4-triazol-3-one chemical structure, C22H27N5O2, CAS 89848-22-6
2,4-Dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-5-methyl-2-(1-methylethyl)-3H-1,2,4-triazol-3-one
CAS 89848-22-6C22H27N5O2
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one chemical structure, C18H19N5O2, CAS 79538-90-2
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
CAS 79538-90-2C18H19N5O2
4-[4-[4-(4-Methoxyphenyl)piperazin-1-yl]phenyl]-2-(3-oxobutan-2-yl)-1,2,4-triazol-3-one chemical structure, C23H27N5O3, CAS 250255-72-2
4-[4-[4-(4-Methoxyphenyl)piperazin-1-yl]phenyl]-2-(3-oxobutan-2-yl)-1,2,4-triazol-3-one
CAS 250255-72-2C23H27N5O3
2-sec-Butyl-d5-4-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one chemical structure, C22H27N5O2, CAS 1020719-21-4
2-sec-Butyl-d5-4-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one
CAS 1020719-21-4C22H27N5O2
2-sec-Butyl-d5-4-{4-[4-(4-methyloxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one chemical structure, C23H29N5O2, CAS 1020719-22-5
2-sec-Butyl-d5-4-{4-[4-(4-methyloxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one
CAS 1020719-22-5C23H29N5O2
3H-1,2,4-Triazol-3-one, 2-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- chemical structure, C23H29N5O3, CAS 687132-01-0
3H-1,2,4-Triazol-3-one, 2-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
CAS 687132-01-0C23H29N5O3
De-1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole Itraconazole Sulfate chemical structure, C23H29N5O6S, CAS 765882-88-0
De-1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole Itraconazole Sulfate
CAS 765882-88-0C23H29N5O6S
2-(1-Ethylpropyl)-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one chemical structure, C23H29N5O2, CAS 212632-01-4
2-(1-Ethylpropyl)-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
CAS 212632-01-4C23H29N5O2
Itraconazole Methoxy ButyItriazolone Impurity chemical structure, C23H29N5O2, CAS 89848-15-7
Itraconazole Methoxy ButyItriazolone Impurity
CAS 89848-15-7C23H29N5O2
4-(4-(4-(4-Methoxy-phenyl)-piperazin-D8-1-yl)-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one chemical structure, C19H21N5O2, CAS 2517794-02-2
4-(4-(4-(4-Methoxy-phenyl)-piperazin-D8-1-yl)-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
CAS 2517794-02-2C19H21N5O2