General Information of the Compound
| Compound ID |
CP0579137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22Cl2N6
|
||||||||||||||||||
| Molecular Weight |
465.388
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22Cl2N6/c25-20-8-7-16(10-21(20)26)11-23-30-31-24(32(23)9-3-4-18-14-27-15-29-18)12-17-13-28-22-6-2-1-5-19(17)22/h1-2,5-8,10,13-15,28H,3-4,9,11-12H2,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFCXPGVHRBRGCL-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