General Information of the Compound
| Compound ID |
CP0765020
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID17408929
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19BrN4O4
|
||||||||||||||||||
| Molecular Weight |
435.278
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(/C=N/NC(N)=O)c(Br)cc1OCC(=O)Nc1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19BrN4O4/c1-11-5-3-4-6-14(11)22-17(24)10-27-16-8-13(19)12(7-15(16)26-2)9-21-23-18(20)25/h3-9H,10H2,1-2H3,(H,22,24)(H3,20,23,25)/b21-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSPNMTUZBSDUBV-ZVBGSRNCSA-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