General Information of the Compound
| Compound ID |
CP0515800
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(2-(4-chlorophenethyl)-2H-tetrazol-5-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23ClN6
|
||||||||||||||||||
| Molecular Weight |
394.91
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCc1cccc2[nH]c(cc12)-c1nnn(CCc2ccc(Cl)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23ClN6/c1-27(2)12-11-16-4-3-5-19-18(16)14-20(23-19)21-24-26-28(25-21)13-10-15-6-8-17(22)9-7-15/h3-9,14,23H,10-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MEPVMVGUJBFZJW-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