General Information of the Compound
| Compound ID |
CP0334675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H50N4O
|
||||||||||||||||||
| Molecular Weight |
590.856
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CCC2)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H50N4O/c1-26-21-27(2)23-30(22-26)37-36(28(3)25-41-18-7-6-9-29-16-19-40-20-17-29)34-24-31(12-15-35(34)42-37)39(4,5)38(44)43-32-10-8-11-33(43)14-13-32/h12,15-17,19-24,28,32-33,41-42H,6-11,13-14,18,25H2,1-5H3/t28-,32?,33?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLRPEXGZFCCNIN-ZDVODEEHSA-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