General Information of the Compound
| Compound ID |
CP0511533
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N3O2S
|
||||||||||||||||||
| Molecular Weight |
395.528
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc(ccn1)-c1nc(cs1)-c1ccc(NC(=O)OC(C)(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O2S/c1-5-6-18-13-16(11-12-23-18)20-25-19(14-28-20)15-7-9-17(10-8-15)24-21(26)27-22(2,3)4/h7-14H,5-6H2,1-4H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATBCYIUPIXGWGZ-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