General Information of the Compound
| Compound ID |
CP0455508
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-ethyl-4-methoxyphenyl)-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N5O
|
||||||||||||||||||
| Molecular Weight |
377.492
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)n1ccc2c(Nc3ccc(OC)cc3CC)nc3ccnn3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N5O/c1-5-15-14-17(28-4)8-9-19(15)24-21-18-11-13-26(16(6-2)7-3)22(18)27-20(25-21)10-12-23-27/h8-14,16H,5-7H2,1-4H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWJSWPQPNAEHNQ-UHFFFAOYSA-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