General Information of the Compound
| Compound ID |
CP0389967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[2-(furan-2-yl)-3H-benzimidazole-5-carbonyl]-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H23F3N4O3
|
||||||||||||||||||
| Molecular Weight |
508.5
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)c1ccc2[nH]c(nc2c1)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H23F3N4O3/c28-27(29,30)18-4-6-19(7-5-18)34-16-26(15-23(34)35)9-11-33(12-10-26)25(36)17-3-8-20-21(14-17)32-24(31-20)22-2-1-13-37-22/h1-8,13-14H,9-12,15-16H2,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDZSGGBBRITROP-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