General Information of the Compound
| Compound ID |
CP0388482
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-2-N-(3-chlorophenyl)-4-N-(2-methoxyphenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
507.015
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1NC(=O)c1c(N)c(sc1Nc1ccccc1C)C(=O)Nc1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23ClN4O3S/c1-15-8-3-4-11-18(15)31-26-21(24(32)30-19-12-5-6-13-20(19)34-2)22(28)23(35-26)25(33)29-17-10-7-9-16(27)14-17/h3-14,31H,28H2,1-2H3,(H,29,33)(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGMBRQQTDUXHPX-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1