General Information of the Compound
| Compound ID |
CP0442434
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-[6-(1-piperidinylmethyl)-7,8-dihydro-2-naphthalenyl]thieno[3,2-d]pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26ClN3OS
|
||||||||||||||||||
| Molecular Weight |
488.056
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4C=C(CN5CCCCC5)CCc4c3)c(=O)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26ClN3OS/c29-23-9-6-20(7-10-23)26-16-25-27(34-26)28(33)32(18-30-25)24-11-8-21-14-19(4-5-22(21)15-24)17-31-12-2-1-3-13-31/h6-11,14-16,18H,1-5,12-13,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMADJAYTJYCDGS-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