General Information of the Compound
| Compound ID |
CP0448840
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3,4-dichlorophenyl)-4-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
486.447
|
||||||||||||||||||
| Canonical SMILES |
CN(CC(CCN1CCC(CC1)n1cncn1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29Cl2N5O/c1-30(25(33)19-5-3-2-4-6-19)16-21(20-7-8-23(26)24(27)15-20)9-12-31-13-10-22(11-14-31)32-18-28-17-29-32/h2-8,15,17-18,21-22H,9-14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWDYAJWQAYFICQ-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