General Information of the Compound
| Compound ID |
CP0449887
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-3-hydroxy-propoxyimino]-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-pentyl]-N-methyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40Cl4N4O4
|
||||||||||||||||||
| Molecular Weight |
686.508
|
||||||||||||||||||
| Canonical SMILES |
CN(C\C(=N/OCCCO)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H40Cl4N4O4/c1-38(32(43)23-17-24(33)20-25(34)18-23)21-30(37-44-16-4-15-41)27(22-6-7-28(35)29(36)19-22)10-14-39-12-8-26(9-13-39)40-11-3-2-5-31(40)42/h6-7,17-20,26-27,41H,2-5,8-16,21H2,1H3/b37-30+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTPXPFZFOWJXMU-GGFUHWEBSA-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