General Information of the Compound
| Compound ID |
CP0554169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-acetyl-N-[1-(4-chlorophenyl)cyclopropyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H33ClFN3O4S
|
||||||||||||||||||
| Molecular Weight |
622.162
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(cc21)C(=O)NC1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H33ClFN3O4S/c1-21(39)37-18-16-32(17-19-37)28-20-23(31(40)36-33(14-15-33)24-5-7-25(34)8-6-24)4-13-29(28)38(30(32)22-2-3-22)43(41,42)27-11-9-26(35)10-12-27/h4-13,20,22,30H,2-3,14-19H2,1H3,(H,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SERKEQHWOHIVBT-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