General Information of the Compound
| Compound ID |
CP0847901
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(diaminomethylene)-2-(2,5-dichlorophenyl)-5-methyl-1H-imidazole-4-carboxamide dimethanesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H19Cl2N5O7S2
|
||||||||||||||||||
| Molecular Weight |
504.374
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)O.CS(=O)(=O)O.Cc1[nH]c(-c2cc(Cl)ccc2Cl)nc1C(=O)N=C(N)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H11Cl2N5O.2CH4O3S/c1-5-9(11(20)19-12(15)16)18-10(17-5)7-4-6(13)2-3-8(7)14;2*1-5(2,3)4/h2-4H,1H3,(H,17,18)(H4,15,16,19,20);2*1H3,(H,2,3,4)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUUVKBWHCPVAMV-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound