General Information of the Compound
| Compound ID |
CP0477644
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 5-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-1,3,4-thiadiazole-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N4O3S
|
||||||||||||||||||
| Molecular Weight |
398.488
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N4O3S/c1-5-26-18(25)17-23-24-19(28-17)22-14-10-8-12-21-16(14)27-15-11-7-6-9-13(15)20(2,3)4/h6-12H,5H2,1-4H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARMRIVZFCKVRER-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