General Information of the Compound
| Compound ID |
CP0520772
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-chloro-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClF5N3O2
|
||||||||||||||||||
| Molecular Weight |
475.845
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c32)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19ClF5N3O2/c1-11-10-12(31-2)4-7-15(11)29-8-3-9-30-17-13(18(21(25,26)27)32-19(23)24)5-6-14(22)16(17)28-20(29)30/h4-7,10,18-19H,3,8-9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMSOYFBPSFPSGB-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