General Information of the Compound
| Compound ID |
CP0554167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-2-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31ClFN3O5S
|
||||||||||||||||||
| Molecular Weight |
600.112
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCC2(CC1)C(CCO)N(c1ccc(cc21)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31ClFN3O5S/c1-20(37)34-15-13-30(14-16-34)25-18-21(29(38)33-19-22-4-2-3-5-26(22)31)6-11-27(25)35(28(30)12-17-36)41(39,40)24-9-7-23(32)8-10-24/h2-11,18,28,36H,12-17,19H2,1H3,(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTBPFIAIWJLJBW-UHFFFAOYSA-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