General Information of the Compound
| Compound ID |
CP0484812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 182
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
477.392
|
||||||||||||||||||
| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3CN(C)C(=O)Nc3c2)c2ccc(Cl)c(Cl)c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26Cl2N4O3/c1-4-23(5-2)11-18(15-8-9-16(24)19(25)20(15)32-23)27-21(30)26-14-7-6-13-12-29(3)22(31)28-17(13)10-14/h6-10,18H,4-5,11-12H2,1-3H3,(H,28,31)(H2,26,27,30)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOQSBODFNHHFDX-GOSISDBHSA-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