General Information of the Compound
| Compound ID |
CP0967898
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(6-((1S,3R)-2-(2-Fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido [3,4-b]indol-1-yl)pyridin-3-yl)acrylic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26FN3O2
|
||||||||||||||||||
| Molecular Weight |
407.489
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(/C=C/C(=O)O)cn2)N1CC(C)(C)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26FN3O2/c1-15-12-18-17-6-4-5-7-19(17)27-22(18)23(28(15)14-24(2,3)25)20-10-8-16(13-26-20)9-11-21(29)30/h4-11,13,15,23,27H,12,14H2,1-3H3,(H,29,30)/b11-9+/t15-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJFJERHCHHZBEE-WKRHYTHFSA-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