General Information of the Compound
| Compound ID |
CP0285207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,4-benzodiazepine-2,5-dione scaffold, 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28Cl2IN3O4
|
||||||||||||||||||
| Molecular Weight |
668.359
|
||||||||||||||||||
| Canonical SMILES |
COCCOCCN1c2ccc(I)cc2C(=O)N([C@H](C)c2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28Cl2IN3O4/c1-17(22-9-7-20(30)15-24(22)32)34-26(18-3-5-19(29)6-4-18)28(36)33(11-12-38-14-13-37-2)25-10-8-21(31)16-23(25)27(34)35/h3-10,15-17,26H,11-14,32H2,1-2H3/t17-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTYOJEHILRDOMQ-QUGAMOGWSA-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