General Information of the Compound
| Compound ID |
CP0335291
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,3-dichloro-4-[4-(cyclobutylmethyl)-2-(2,2-dioxo-2lambda6-thia-6-azaspiro[3.3]heptane-6-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24Cl2F3N3O5S3
|
||||||||||||||||||
| Molecular Weight |
646.562
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24Cl2F3N3O5S3/c1-12(23(26,27)28)30-39(35,36)16-6-5-14(17(24)18(16)25)19-15(7-13-3-2-4-13)29-20(37-19)21(32)31-8-22(9-31)10-38(33,34)11-22/h5-6,12-13,30H,2-4,7-11H2,1H3/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSSPFSBICAYDDO-LBPRGKRZSA-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