General Information of the Compound
| Compound ID |
CP0425136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-4,4-dimethyl-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] 2-methoxyacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42FN3O3
|
||||||||||||||||||
| Molecular Weight |
523.693
|
||||||||||||||||||
| Canonical SMILES |
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CC(C)(C)c2cc(F)ccc2[C@@H]1C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42FN3O3/c1-21(2)29-23-14-13-22(32)18-24(23)30(3,4)20-31(29,38-28(36)19-37-6)15-17-35(5)16-9-12-27-33-25-10-7-8-11-26(25)34-27/h7-8,10-11,13-14,18,21,29H,9,12,15-17,19-20H2,1-6H3,(H,33,34)/t29-,31+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAFYOFMRFOIFOW-IGYGKHONSA-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: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H