General Information of the Compound
| Compound ID |
CP0488965
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (3S,3'R,5'S)-1'-benzoyl-5-fluoro-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25FN2O4
|
||||||||||||||||||
| Molecular Weight |
424.472
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2ccccc2)[C@@]11C(=O)Nc2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25FN2O4/c1-14(2)11-17-13-19(22(29)31-3)24(27(17)21(28)15-7-5-4-6-8-15)18-12-16(25)9-10-20(18)26-23(24)30/h4-10,12,14,17,19H,11,13H2,1-3H3,(H,26,30)/t17-,19-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMJOEHZZPARHDF-WVMBUTMQSA-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