General Information of the Compound
| Compound ID |
CP0576437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-methyl-6-(3-(5- methyl-1,3,4- oxadiazol-2- yl)phenyl)- 2-(methylthio)- 6,7,8,9- tetrahydro-5H- pyrimido[4,5- e][1,4]diazepin- 5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N6O2S
|
||||||||||||||||||
| Molecular Weight |
382.449
|
||||||||||||||||||
| Canonical SMILES |
CSc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N6O2S/c1-11-21-22-16(26-11)12-5-4-6-13(9-12)24-8-7-23(2)15-14(17(24)25)10-19-18(20-15)27-3/h4-6,9-10H,7-8H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OFOVPNFNRKXRFW-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