General Information of the Compound
| Compound ID |
CP0969484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3-Fluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-5-methoxyphenyl)-nicotinic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29F2N3O3
|
||||||||||||||||||
| Molecular Weight |
505.565
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(-c2ccc(C(=O)O)cn2)cc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29F2N3O3/c1-16-11-20-19-7-5-6-8-23(19)33-26(20)27(34(16)15-29(2,3)31)25-21(30)12-18(13-24(25)37-4)22-10-9-17(14-32-22)28(35)36/h5-10,12-14,16,27,33H,11,15H2,1-4H3,(H,35,36)/t16-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPVMNYJNYPMGHJ-CHAGWJKLSA-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