General Information of the Compound
| Compound ID |
CP0035927
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| Compound Name |
(Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide
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| Synonyms |
1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine
1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine
1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine
2-Cyano-1-methyl-3-[2-(5-methyl-1H-imidazol-4-yl-methylthio)ethyl]guanidine
2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine
Acibilin
Acinil
Altramet
Biomet400
Brumetidina
C 4522
CIMETIDINE A/AB
Ci metum
Cimal
Cimetadine
Cimetag
Cimetidina
Cimetidina [INN-Spanish]
Cimetidine
Cimetidine (JP15/USP/INN)
Cimetidine Hcl
Cimetidine [USAN:INN:BAN:JAN]
Cimetidinum
Cimetidinum [INN-Latin]
Cimetum
DRG-0150
Dyspamet
Edalene
Eureceptor
Evicer
FPF 1002
Gastrobitan
Gastromet
Histodil
Magicul
Metracin
N''-Cyano-N-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine
N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine
N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine
N-Cyano-N'-Methyl-N''-(2-(((5-Methyl-1H-Imidazol-4-YL)Methyl)Thio)Ethyl) Guanidine
N-Cyano-N'-methyl-N''-(2-(((5-methyl-1 H-imidazol-4-yl) methyl)thio)ethyl)guanidine
N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine
N-Cyano-N'-methyl-[2-[[[5-methyl-1H-imidazol-4-yl]methyl]thio]ethyl]guanidine
N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine
N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine
Peptol
SK&F-92334
SKF 92334
SKF-92334
Sigmetadine
Tagamet
Tagamet (TN)
Tagamet HB (TN)
Tagamet HB200 (TN)
Tagamet Hb
Tagamet Hb 200
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine
Tametin
Tratul
Ulcedin
Ulcedine
Ulcestop
Ulcimet
Ulcofalk
Ulcomedina
Ulcomet
Ulhys
Valmagen
Venopex
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| Structure |
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| Formula |
C10H16N6S
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| Molecular Weight |
252.347
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| Canonical SMILES |
CNC(NC#N)=NCCSCc1[nH]cnc1C
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| InChI |
InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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| InChIKey |
AQIXAKUUQRKLND-UHFFFAOYSA-N
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| CAS |
51481-61-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT01685, ATP-dependent translocase ABCB1
Protein ID: PT06079, ATP-dependent translocase ABCB1
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
Protein ID: PT05092, Organic anion transporter 3
Protein ID: PT03795, Solute carrier family 22 member 1
Protein ID: PT06157, Solute carrier family 22 member 1
Protein ID: PT04591, Solute carrier family 22 member 2
Protein ID: PT04368, Solute carrier family 22 member 2
Clinical Information about the Compound