General Information of the Compound
| Compound ID |
CP0492677
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(1,2,3,4-tetrahydrocyclopenta[b]indole-7-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26F3N3O2
|
||||||||||||||||||
| Molecular Weight |
481.518
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)c1ccc2[nH]c3CCCc3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26F3N3O2/c28-27(29,30)18-5-7-19(8-6-18)33-16-26(15-24(33)34)10-12-32(13-11-26)25(35)17-4-9-23-21(14-17)20-2-1-3-22(20)31-23/h4-9,14,31H,1-3,10-13,15-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVPBQFDFXIYQMB-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
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2