General Information of the Compound
| Compound ID |
CP0311548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-N-methylthiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N3O2S
|
||||||||||||||||||
| Molecular Weight |
445.588
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)c2cccs2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N3O2S/c1-3-31-21-11-8-18(9-12-21)15-25-27-22-16-20(28(2)26(30)24-5-4-14-32-24)10-13-23(22)29(25)17-19-6-7-19/h4-5,8-14,16,19H,3,6-7,15,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSVIYFPRZFISQC-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