General Information of the Compound
| Compound ID |
CP0576531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-4-yl]butan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25Cl2N5
|
||||||||||||||||||
| Molecular Weight |
442.394
|
||||||||||||||||||
| Canonical SMILES |
NCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25Cl2N5/c24-19-9-7-16(13-20(19)25)14-23-29-28-22(30(23)12-4-3-11-26)10-8-17-15-27-21-6-2-1-5-18(17)21/h1-2,5-7,9,13,15,27H,3-4,8,10-12,14,26H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTGLFQLCRVCJCI-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 | |||||||||||||||||||
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