General Information of the Compound
| Compound ID |
CP0969247
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F3N2O2
|
||||||||||||||||||
| Molecular Weight |
442.481
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1(CO)CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F3N2O2/c26-17-4-2-15(3-5-17)23-22(19-11-18(27)12-20(28)24(19)29-23)16-8-14(9-16)10-21(32)30-25(13-31)6-1-7-25/h2-5,11-12,14,16,29,31H,1,6-10,13H2,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYGXQZPYOJQSFW-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 | |||||||||||||||||||
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