General Information of the Compound
| Compound ID |
CP0483134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10301272, Example 20
Show/Hide
|
||||||||||||||||||
| Formula |
C31H38FN3O5S2
|
||||||||||||||||||
| Molecular Weight |
615.793
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CCF)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38FN3O5S2/c1-31(2,14-15-32)35-42(39,40)26-13-12-24(22-10-6-7-11-23(22)26)27-25(16-19-8-4-3-5-9-19)34-29(41-27)28(36)33-21-17-20(18-21)30(37)38/h6-7,10-13,19-21,35H,3-5,8-9,14-18H2,1-2H3,(H,33,36)(H,37,38)/t20-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FOOFCMISAIJPLF-MEMLXQNLSA-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