General Information of the Compound
| Compound ID |
CP0573758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40FN3O2
|
||||||||||||||||||
| Molecular Weight |
493.667
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21(3)4)16-18-34(5)17-8-11-27-32-25-9-6-7-10-26(25)33-27/h6-7,9-10,12-13,19-21,28H,8,11,14-18H2,1-5H3,(H,32,33)/t28-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRFNLRPRBZSCOW-JDXGNMNLSA-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