General Information of the Compound
| Compound ID |
CP0396624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(1H-indazole-6-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F3N4O2
|
||||||||||||||||||
| Molecular Weight |
442.441
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)c1ccc2cn[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F3N4O2/c24-23(25,26)17-3-5-18(6-4-17)30-14-22(12-20(30)31)7-9-29(10-8-22)21(32)15-1-2-16-13-27-28-19(16)11-15/h1-6,11,13H,7-10,12,14H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGVYQZXESBBDPZ-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