General Information of the Compound
| Compound ID |
CP0434485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[7-(2-chloro-4,6-dimethylphenyl)-4-methyl-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30ClN5O2
|
||||||||||||||||||
| Molecular Weight |
455.99
|
||||||||||||||||||
| Canonical SMILES |
COCCN(CCOC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30ClN5O2/c1-16-13-17(2)22(19(25)14-16)30-23-20(7-6-8-26-23)29-21(18(3)27-24(29)30)15-28(9-11-31-4)10-12-32-5/h6-8,13-14H,9-12,15H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMVOZZWIAYOSFA-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