General Information of the Compound
| Compound ID |
CP0478979
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11098029, Example 18
Show/Hide
|
||||||||||||||||||
| Formula |
C21H33N3O5S
|
||||||||||||||||||
| Molecular Weight |
439.578
|
||||||||||||||||||
| Canonical SMILES |
CNS(=O)(=O)N[C@H]1C[C@@H](C)N([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H33N3O5S/c1-15-13-19(23-30(26,27)22-2)20(24(15)21(25)28-3)14-29-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,15,17-20,22-23H,9-14H2,1-3H3/t15-,17-,18+,19+,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLAIOQORXCTCRG-LGKHCZOZSA-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 | |||||||||||||||||||
| 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