General Information of the Compound
| Compound ID |
CP0479524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-chloro-4-methoxyphenyl)-5-methyl-4-nitro-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H23ClN4O6S
|
||||||||||||||||||
| Molecular Weight |
555.012
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)c1noc(C)c1[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23ClN4O6S/c1-16-23(31(34)35)22(29-37-16)26(33)30(18-10-11-20(36-2)19(27)15-18)24(21-9-6-14-38-21)25(32)28-13-12-17-7-4-3-5-8-17/h3-11,14-15,24H,12-13H2,1-2H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DANDPZFXRKTTSL-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 | |||||||||||||||||||
| 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