General Information of the Compound
| Compound ID |
CP0532996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-acetyl-N-[(2-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H31ClFN3O2
|
||||||||||||||||||
| Molecular Weight |
520.048
|
||||||||||||||||||
| Canonical SMILES |
CC1N(Cc2ccc(F)cc2)c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31ClFN3O2/c1-20-30(13-15-34(16-14-30)21(2)36)26-17-23(29(37)33-18-24-5-3-4-6-27(24)31)9-12-28(26)35(20)19-22-7-10-25(32)11-8-22/h3-12,17,20H,13-16,18-19H2,1-2H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTKNLLIMQOXGCL-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 | |||||||||||||||||||
| 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