General Information of the Compound
| Compound ID |
CP0115024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(2,6-dimethyl-pyridin-4-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H50N4O
|
||||||||||||||||||
| Molecular Weight |
590.856
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CNCCc1cc(C)nc(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H50N4O/c1-24-16-25(2)18-31(17-24)37-36(26(3)22-40-15-14-30-19-27(4)41-28(5)20-30)34-21-32(10-13-35(34)42-37)39(6,7)38(44)43-23-29-8-11-33(43)12-9-29/h10,13,16-21,26,29,33,40,42H,8-9,11-12,14-15,22-23H2,1-7H3/t26-,29?,33?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTJRPDQITAQKGK-PKWVSMGWSA-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