General Information of the Compound
| Compound ID |
CP0509381
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829332
Show/Hide
|
||||||||||||||||||
| Formula |
C21H32F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
463.566
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2cc(ccc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32F3N3O3S/c1-15(2)31(28,29)26-14-16-3-6-18(7-4-16)25-9-10-27-11-12-30-20-13-17(21(22,23)24)5-8-19(20)27/h5,8,13,15-16,18,25-26H,3-4,6-7,9-12,14H2,1-2H3/t16-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZIHNWSYTJUDAI-SAABIXHNSA-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