General Information of the Compound
| Compound ID |
CP0348507
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-iodobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22Cl2IN3O
|
||||||||||||||||||
| Molecular Weight |
530.237
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(I)cc3)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22Cl2IN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h1-9H,10-15H2,(H,25,28)/b2-1+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMKMSUCBVBINOY-OWOJBTEDSA-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 | |||||||||||||||||||