General Information of the Compound
| Compound ID |
CP0969987
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxo-3-piperidyl)cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C24H22F3N3O2
|
||||||||||||||||||
| Molecular Weight |
441.453
|
||||||||||||||||||
| Canonical SMILES |
O=C1NCCCC1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F3N3O2/c25-15-5-3-12(4-6-15)21-20(17-10-16(26)11-18(27)22(17)30-21)13-8-14(9-13)23(31)29-19-2-1-7-28-24(19)32/h3-6,10-11,13-14,19,30H,1-2,7-9H2,(H,28,32)(H,29,31)/t13-,14-,19?
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFBIVETWMCIKSX-FDTIFPJHSA-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
|
||||||||||||||||||
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