General Information of the Compound
| Compound ID |
CP0395002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-1H-imidazol-4-ylmethoxyimino]-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-pentyl]-N-methyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H38Cl4N6O3
|
||||||||||||||||||
| Molecular Weight |
708.518
|
||||||||||||||||||
| Canonical SMILES |
CN(C\C(=N/OCc1cnc[nH]1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H38Cl4N6O3/c1-41(33(45)23-14-24(34)17-25(35)15-23)19-31(40-46-20-26-18-38-21-39-26)28(22-5-6-29(36)30(37)16-22)9-13-42-11-7-27(8-12-42)43-10-3-2-4-32(43)44/h5-6,14-18,21,27-28H,2-4,7-13,19-20H2,1H3,(H,38,39)/b40-31+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKHGNAJUVAULNG-MNIDXLESSA-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor