General Information of the Compound
| Compound ID |
CP0969329
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C25H23F3N2O2
|
||||||||||||||||||
| Molecular Weight |
440.465
|
||||||||||||||||||
| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCC2(COC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F3N2O2/c26-17-3-1-14(2-4-17)22-21(19-9-18(27)10-20(28)23(19)29-22)15-7-16(8-15)24(31)30-6-5-25(11-30)12-32-13-25/h1-4,9-10,15-16,29H,5-8,11-13H2/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUOWRBQZWBQROI-WKILWMFISA-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