General Information of the Compound
| Compound ID |
CP0538061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4634072
Show/Hide
|
||||||||||||||||||
| Formula |
C24H23Cl2F3N4O5S2
|
||||||||||||||||||
| Molecular Weight |
639.505
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(o2)[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23Cl2F3N4O5S2/c1-10(24(27,28)29)33-40(36,37)16-6-5-14(17(25)18(16)26)19-15(7-11-3-2-4-11)30-22(39-19)21-32-31-20(38-21)12-8-13(9-12)23(34)35/h5-6,10-13,33H,2-4,7-9H2,1H3,(H,34,35)/t10-,12-,13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFHHIVHARPRKCG-DRZSPHRISA-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