General Information of the Compound
| Compound ID |
CP0548863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9862730, Example 268
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15N3O3S2
|
||||||||||||||||||
| Molecular Weight |
361.448
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cccc2oc(cc12)-c1cn2nc(SC)sc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15N3O3S2/c1-20-6-7-21-12-4-3-5-13-10(12)8-14(22-13)11-9-19-15(17-11)24-16(18-19)23-2/h3-5,8-9H,6-7H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQGNBMVSICQATP-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