General Information of the Compound
| Compound ID |
CP0459189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-2-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N4O2S
|
||||||||||||||||||
| Molecular Weight |
430.533
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N4O2S/c1-15-21(22(28-31-15)18-9-11-20(30-2)12-10-18)23(29)27-24(25)26-14-16-7-8-17-5-3-4-6-19(17)13-16/h3-13H,14H2,1-2H3,(H3,25,26,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSZZXRCKMAWOKR-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