General Information of the Compound
| Compound ID |
CP0495966
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[4-bromo-N-[(3-chlorophenyl)methyl]anilino]piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30BrCl3N4O
|
||||||||||||||||||
| Molecular Weight |
624.838
|
||||||||||||||||||
| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(Cl)c1)c1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30BrCl3N4O/c1-19(9-12-34-28(37)27-25(31)16-33-17-26(27)32)35-13-10-24(11-14-35)36(23-7-5-21(29)6-8-23)18-20-3-2-4-22(30)15-20/h2-8,15-17,19,24H,9-14,18H2,1H3,(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOERJSXSTHFFHD-UHFFFAOYSA-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