General Information of the Compound
| Compound ID |
CP0481333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzimidazolone scaffold, 15k
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27ClN4O
|
||||||||||||||||||
| Molecular Weight |
398.938
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27ClN4O/c23-18-7-6-8-19(17-18)26-15-13-25(14-16-26)11-4-1-5-12-27-21-10-3-2-9-20(21)24-22(27)28/h2-3,6-10,17H,1,4-5,11-16H2,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXVAESPABVPFKV-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