General Information of the Compound
| Compound ID |
CP0505601
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(4-chlorophenyl)-2,3-dihydro-2(S)-methyl-1H-pyrimido[4'',5'':4',5']thieno[3',2':5,6]pyrido[3,4-b][1,4]oxazin-8(9H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H13ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
384.848
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H13ClN4O2S/c1-9-7-25-12-6-20-17-13(14(12)22-9)15-16(26-17)18(24)23(8-21-15)11-4-2-10(19)3-5-11/h2-6,8-9,22H,7H2,1H3/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUWUPJIBRSPFBB-VIFPVBQESA-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
Protein ID: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5