General Information of the Compound
| Compound ID |
CP0969331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C25H26F3N3O2
|
||||||||||||||||||
| Molecular Weight |
457.496
|
||||||||||||||||||
| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCN(CCO)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26F3N3O2/c26-18-3-1-15(2-4-18)23-22(20-13-19(27)14-21(28)24(20)29-23)16-11-17(12-16)25(33)31-7-5-30(6-8-31)9-10-32/h1-4,13-14,16-17,29,32H,5-12H2/t16-,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNMQAFMBAMUIFD-QAQDUYKDSA-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