General Information of the Compound
| Compound ID |
CP0967814
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-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)N1C[C@@H]2[C@@H](CO)[C@@H]2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F3N2O2/c26-15-3-1-12(2-4-15)23-22(17-7-16(27)8-21(28)24(17)29-23)13-5-14(6-13)25(32)30-9-18-19(10-30)20(18)11-31/h1-4,7-8,13-14,18-20,29,31H,5-6,9-11H2/t13-,14-,18-,19+,20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKFRUUPCMNKYAY-RFGQCSSQSA-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