General Information of the Compound
| Compound ID |
CP0165556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N7O
|
||||||||||||||||||
| Molecular Weight |
429.528
|
||||||||||||||||||
| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N7O/c1-30-11-12-32-22-21(30)15-27-31-23(28-29-24(22)31)18-6-5-17-3-2-4-20(19(17)13-18)26-14-16-7-9-25-10-8-16/h2-6,13,15-16,25-26H,7-12,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQSFRZOCLWDZFX-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