General Information of the Compound
| Compound ID |
CP0969895
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3,5-Difluoro-4-((1R,3S)-2-(2-fluoro-2-methylpropyl)-3-(fluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)-acrylic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24F4N2O2
|
||||||||||||||||||
| Molecular Weight |
460.471
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(F)CN1[C@H](CF)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(/C=C/C(=O)O)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24F4N2O2/c1-25(2,29)13-31-15(12-26)11-17-16-5-3-4-6-20(16)30-23(17)24(31)22-18(27)9-14(10-19(22)28)7-8-21(32)33/h3-10,15,24,30H,11-13H2,1-2H3,(H,32,33)/b8-7+/t15-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
COIALYHLVLQATA-FKCCRPNQSA-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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
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