General Information of the Compound
| Compound ID |
CP0499597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-[2-methyl-1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
527.049
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23ClN4O2S/c1-17(2)36-23-11-8-21(9-12-23)34-18(3)32-24-14-22(10-13-26(24)34)33-16-31-25-15-27(37-28(25)29(33)35)19-4-6-20(30)7-5-19/h4-17H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZTZLWUBTKQNGJ-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