Murcko scaffold
Ring system with 3 rings and 19 atoms
86 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 19
- Chemicals
- 86
- With full pages
- 22
Scaffold SMILES
O=c1[nH]cnc2c1NC(CNc1ccccc1)CN2
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]cnc2c1NC(CNc1ccccc1)CN2](/scaffold/HSISPQXNAMHQIC-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 48 of 86 chemicals
10-Formyltetrahydrofolic acid
CAS 74644-66-9C20H23N7O7
L-Folinic acid
CAS 68538-85-2C20H23N7O7
L-Methylfolate
CAS 31690-09-2C20H25N7O6
(6S)-5,6,7,8-Tetrahydrofolic acid
CAS 71963-69-4C19H23N7O6
N5-Formyl-THF
CAS 22350-60-3C20H23N7O7
5,6,7,8-Tetrahydrofolic acid
CAS 29347-89-5C19H23N7O6
Leucovorin
CAS 58-05-9C20H23N7O7
![2-[[4-[(2-Amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid chemical structure, C21H25N7O7, CAS 80402-48-8](/s/USGCDFQEGYZBQP-UHFFFAOYSA-N.svg)
2-[[4-[(2-Amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
CAS 80402-48-8C21H25N7O7
5-Methyltetrahydrofolic acid
CAS 134-35-0C20H25N7O6
Calcium (4-(((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)glutamate
CAS 67005-79-2C20H21CaN7O7
(6r,s)-5-Methyltetrahydrofolic acid
CAS 31690-08-1C20H25N7O6
Calcium folinate
CAS 1492-18-8C20H23CaN7O7
![2-[[4-[[2-Amino-5-(2-chloroethylcarbamoyl)-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid chemical structure, C22H27ClN8O7, CAS 72988-03-5](/s/LPLYDUOPQBNRCL-UHFFFAOYSA-N.svg)
2-[[4-[[2-Amino-5-(2-chloroethylcarbamoyl)-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
CAS 72988-03-5C22H27ClN8O7
Tetrahydrofolic acid
CAS 135-16-0C19H23N7O6
Formiminotetrahydrofolic acid
CAS 2311-81-1C20H24N8O6
10-Formyltetrahydrofolate
CAS 2800-34-2C20H23N7O7
![2-[[4-[[2-Amino-5-(ethylcarbamothioyl)-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid chemical structure, C22H28N8O6S, CAS 72973-88-7](/s/PPHNVEKPFCVGDU-UHFFFAOYSA-N.svg)
2-[[4-[[2-Amino-5-(ethylcarbamothioyl)-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
CAS 72973-88-7C22H28N8O6S
Levoleucovorin calcium pentahydrate
CAS 419573-16-3C20H31CaN7O12
![2-[[4-[(2-Amino-5-carbamoyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid chemical structure, C20H24N8O7, CAS 5221-29-4](/s/MDAPHAGGBASXDR-UHFFFAOYSA-N.svg)
2-[[4-[(2-Amino-5-carbamoyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
CAS 5221-29-4C20H24N8O7
![2-[[4-[[2-Amino-5-(carboxymethyl)-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid chemical structure, C21H25N7O8, CAS 72973-90-1](/s/DALNGPVWDIIWJB-UHFFFAOYSA-N.svg)
2-[[4-[[2-Amino-5-(carboxymethyl)-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
CAS 72973-90-1C21H25N7O8
Calcium dextrofolinate
CAS 115940-48-2C20H21CaN7O7
6R-Leucovorin
CAS 73951-54-9C20H23N7O7
![2-[[4-[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methyl-(3-chloropropanoyl)amino]benzoyl]amino]pentanedioic acid chemical structure, C22H26ClN7O7, CAS 80402-39-7](/s/COEQKBQLXJRFIR-UHFFFAOYSA-N.svg)
2-[[4-[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methyl-(3-chloropropanoyl)amino]benzoyl]amino]pentanedioic acid
CAS 80402-39-7C22H26ClN7O7
Levoleucovorin calcium
CAS 80433-71-2C20H21CaN7O7
- Calcium 2-[[4-[acetyl-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid80402-40-0C21H25CaN7O7+2
- 2-[[4-[(2-Amino-5-ethyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid32675-65-3C21H27CaN7O6+2
- 2-[[4-[(2-Amino-4-oxo-5-propyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid32675-67-5C22H29CaN7O6+2
- 49 suppliersLevomefolate calcium151533-22-1C20H23CaN7O6
- Levomefolate magnesium1429498-11-2C20H23MgN7O6
- Levomefolate calcium pentahydrate419563-18-1C20H33CaN7O11
- (S)(R)-levomefolate calcium301298-88-4C20H23CaN7O6
- 4 suppliersLevomefolate glucosamine1181972-37-1C32H51N9O16
- Levomefolate sodium1423663-76-6C20H23N7Na2O6
- Levoleucovorin disodium1141892-29-6C20H21N7Na2O7
- 5-Methyltetrahydrofolate barium salt68703-91-3C20H23BaN7O6
- 10-Formyltetrahydropteroyl-gamma-glutamylglutamic acid29552-62-3C25H30N8O10
- Drospirenone/ethinyl estradiol/levomefolate calcium and levomefolate calcium914956-24-4C64H77CaN7O11
- 5-Methyltetrahydrofolate triglutamate50998-20-4C35H46N10O15
- Tetrahydropteroylpentaglutamate41520-73-4C39H51N11O18
- 15 suppliersAscorbic acid54353-24-1C20H23N7O7
- 1 suppliersC20H33CaN7O12C20H33CaN7O12
- Orb16862951097832-14-8C20H23CaN7O8
- 10 suppliersCalcium mefolinate26560-38-3C20H23CaN7O6
- 1 suppliersCalcium 2-(4-(((2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioate68792-51-8C20H23CaN7O6
- Calcium (S)-2-(4-((((S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)-4-carboxybutanoate129025-21-4C40H48CaN14O12
- 5-Methyltetrahydropteroylpentaglutamate39555-46-9C40H53N11O18
- 49 suppliersLeucovorin calcium pentahydrate6035-45-6C20H31CaN7O12
- Calcium folinatc41927-89-3C20H31CaN7O12
Related scaffolds
Same ring framework with different atoms or bond orders
c1ccc(N=Nc2ccc3ccccc3c2)cc167 chemicals![Scaffold O=C(Nc1ccccc1)c1cc2ccccc2[nH]c1=O](/scaffold/DZOOMZBMCVCDDF-UHFFFAOYSA-N/structure.svg)
O=C(Nc1ccccc1)c1cc2ccccc2[nH]c1=O61 chemicals
O=C(Nc1ccccc1)c1ccc2ccccc2c160 chemicals
O=C(Nc1ccccc1)c1cc2ccccc2oc1=O60 chemicals
O=c1ccc2ccc(OCc3ccccc3)cc2o156 chemicals
O=C(Nc1ccccc1)C1COc2ccccc2O147 chemicals
C(=Cc1ccc2ccccc2n1)c1ccccc145 chemicals
O=C(Nc1ccc2c(c1)OCCO2)c1ccccc144 chemicals
O=S(=O)(Nc1cnc2ccccc2n1)c1ccccc134 chemicals![Scaffold O=c1[nH]c(C=Cc2ccccc2)nc2ccccc12](/scaffold/JDEJRLXMWUYMSS-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(C=Cc2ccccc2)nc2ccccc1232 chemicals
O=C(Nc1ccccc1)c1cc(=O)c2ccccc2o125 chemicals
O=C(Nc1ccccc1)N1CCc2ccccc2C123 chemicals