General Information of the Compound
| Compound ID |
CP0529775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-{2-[(4-methyl-1-piperazinyl)methyl]-6-quinolinyl}thieno[3,2-d]pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24ClN5OS
|
||||||||||||||||||
| Molecular Weight |
502.043
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24ClN5OS/c1-31-10-12-32(13-11-31)16-21-7-4-19-14-22(8-9-23(19)30-21)33-17-29-24-15-25(35-26(24)27(33)34)18-2-5-20(28)6-3-18/h2-9,14-15,17H,10-13,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLNMKOAPZKIZAU-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