General Information of the Compound
| Compound ID |
CP0529712
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-{2-[(4-methyl-1-piperazinyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl}thieno[3,2-d]pyrimidin-4-(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClN5O2S
|
||||||||||||||||||
| Molecular Weight |
508.047
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC2CNc3cc(ccc3O2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClN5O2S/c1-30-8-10-31(11-9-30)15-20-14-28-21-12-19(6-7-23(21)34-20)32-16-29-22-13-24(35-25(22)26(32)33)17-2-4-18(27)5-3-17/h2-7,12-13,16,20,28H,8-11,14-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCVZWTDSDJVWOI-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