General Information of the Compound
| Compound ID |
CP0504089
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-aminobenzimidazole-based compound, 16
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28F3N5O
|
||||||||||||||||||
| Molecular Weight |
459.516
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCN(C)CC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28F3N5O/c1-31-13-11-19(12-14-31)32(2)23-29-20-9-8-18(15-21(20)30-23)28-22(33)10-5-16-3-6-17(7-4-16)24(25,26)27/h3-4,6-9,15,19H,5,10-14H2,1-2H3,(H,28,33)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SVPGKIAPCUEBCL-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