General Information of the Compound
| Compound ID |
CP0457715
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-5-(4-chlorophenyl)-N-(1-(4-(3-(4-(cyclopropanecarbonyl)phenoxy)propyl)piperazin-1-yl)-1-oxopropan-2-yl)furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34ClN3O5
|
||||||||||||||||||
| Molecular Weight |
564.082
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34ClN3O5/c1-21(33-30(37)28-14-13-27(40-28)22-5-9-25(32)10-6-22)31(38)35-18-16-34(17-19-35)15-2-20-39-26-11-7-24(8-12-26)29(36)23-3-4-23/h5-14,21,23H,2-4,15-20H2,1H3,(H,33,37)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKOAURGENMZQGG-OAQYLSRUSA-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: PT02752, Sodium channel protein type 10 subunit alpha