General Information of the Compound
| Compound ID |
CP0299579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Acetic acid 4-(2-{(S)-2-[5-[2-(2-aza-bicyclo[2.2.2]oct-2-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-propylamino}-ethyl)-pyridin-2-ylmethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H50N4O3
|
||||||||||||||||||
| Molecular Weight |
634.865
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CNCCc1ccnc(COC(C)=O)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H50N4O3/c1-25-17-26(2)19-31(18-25)38-37(27(3)22-41-15-13-29-14-16-42-33(20-29)24-47-28(4)45)35-21-32(9-12-36(35)43-38)40(5,6)39(46)44-23-30-7-10-34(44)11-8-30/h9,12,14,16-21,27,30,34,41,43H,7-8,10-11,13,15,22-24H2,1-6H3/t27-,30?,34?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJEXKHNQUHSDNN-UHBGNVCTSA-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