General Information of the Compound
| Compound ID |
CP0967410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3,5-Difluoro-4-((1R,3R)-3-methyl-2-((1-(trifluoromethyl)-cyclopropyl)methyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F5N2O2
|
||||||||||||||||||
| Molecular Weight |
490.472
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC1(C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F5N2O2/c1-14-10-17-16-4-2-3-5-20(16)32-23(17)24(33(14)13-25(8-9-25)26(29,30)31)22-18(27)11-15(12-19(22)28)6-7-21(34)35/h2-7,11-12,14,24,32H,8-10,13H2,1H3,(H,34,35)/b7-6+/t14-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGULWAGUWHCAPJ-OZFANJHYSA-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