General Information of the Compound
| Compound ID |
CP0481387
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
S-tert-butyl 2-methyl-4,6-diphenyl-1,4-dihydropyridine-3-carbothioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25NOS
|
||||||||||||||||||
| Molecular Weight |
363.526
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(C=C(N1)c1ccccc1)c1ccccc1)C(=O)SC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25NOS/c1-16-21(22(25)26-23(2,3)4)19(17-11-7-5-8-12-17)15-20(24-16)18-13-9-6-10-14-18/h5-15,19,24H,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
COZFLQRHDQMCDS-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