General Information of the Compound
| Compound ID |
CP0463071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1R,8R,12R)-12-[2-[3-(4-methoxy-1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-12-tricyclo[6.3.2.02,7]trideca-2,4,6-trienyl] 2-methylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H41N3O3
|
||||||||||||||||||
| Molecular Weight |
503.687
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2nc(CCCN(C)CC[C@@]3(C[C@H]4CCC[C@@H]3c3ccccc43)OC(=O)C(C)C)[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZBPEBNJOSXIBE-SKYBXZRDSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H