General Information of the Compound
| Compound ID |
CP0156321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,4-benzodiazepine-2,5-dione scaffold, 22
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29Cl2IN4O3
|
||||||||||||||||||
| Molecular Weight |
679.386
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29Cl2IN4O3/c1-18(23-8-6-21(31)16-25(23)33)36-27(19-2-4-20(30)5-3-19)29(38)35(11-10-34-12-14-39-15-13-34)26-9-7-22(32)17-24(26)28(36)37/h2-9,16-18,27H,10-15,33H2,1H3/t18-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXTIZPFXYRRDES-CLYVBNDRSA-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: PT01771, E3 ubiquitin-protein ligase Mdm2