General Information of the Compound
| Compound ID |
CP0968813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[3-(2-hydroxyethyl)-1-piperidyl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C26H27F3N2O2
|
||||||||||||||||||
| Molecular Weight |
456.508
|
||||||||||||||||||
| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCCC(CCO)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27F3N2O2/c27-19-5-3-16(4-6-19)24-23(21-12-20(28)13-22(29)25(21)30-24)17-10-18(11-17)26(33)31-8-1-2-15(14-31)7-9-32/h3-6,12-13,15,17-18,30,32H,1-2,7-11,14H2/t15?,17-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIHCFBIIDQTCFS-DNLFPKPLSA-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