General Information of the Compound
| Compound ID |
CP0485319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]phenyl]-1,2,4-triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21ClN4O
|
||||||||||||||||||
| Molecular Weight |
440.934
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(cc1)-n1cncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21ClN4O/c1-19-7-13-25(31(19)23-11-9-22(10-12-23)30-18-28-17-29-30)24-15-21(27)8-14-26(24)32-16-20-5-3-2-4-6-20/h2-15,17-18H,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEDSVCCGGCMQSR-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