General Information of the Compound
| Compound ID |
CP0549297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-chlorophenyl)-4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]-2-phenylpiperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25ClN4O3
|
||||||||||||||||||
| Molecular Weight |
500.986
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1Nc1c(N2CCN(C(C2)c2ccccc2)C(=O)Nc2ccccc2Cl)c(=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25ClN4O3/c1-18-9-5-7-13-21(18)30-24-25(27(35)26(24)34)32-15-16-33(23(17-32)19-10-3-2-4-11-19)28(36)31-22-14-8-6-12-20(22)29/h2-14,23,30H,15-17H2,1H3,(H,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTFGXJPZAYHTFO-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 | |||||||||||||||||||
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