General Information of the Compound
| Compound ID |
CP0515430
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428460, 21
Show/Hide
|
||||||||||||||||||
| Formula |
C20H20BrN3O3
|
||||||||||||||||||
| Molecular Weight |
430.302
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20BrN3O3/c21-16-3-1-2-15-18(8-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(25)17-9-11-26-24-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,25)/t13-,14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKSTWGCIUIWRQK-HDJSIYSDSA-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