General Information of the Compound
| Compound ID |
CP0889902
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID99309106
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H13F2N5O2S
|
||||||||||||||||||
| Molecular Weight |
353.354
|
||||||||||||||||||
| Canonical SMILES |
CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)/b18-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZWSVMYPLKKOOE-CNHKJKLMSA-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: PT03308, G-protein coupled receptor 35
Protein ID: PT06109, Geminin