General Information of the Compound
| Compound ID |
CP0446732
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[(6S,8R)-7-(2,2-difluoropropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-2-fluoro-3-methoxyphenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N3O3
|
||||||||||||||||||
| Molecular Weight |
459.468
|
||||||||||||||||||
| Canonical SMILES |
COc1c(F)c(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N3O3/c1-13-10-17-15(7-8-19-18(17)11-28-29-19)22(30(13)12-24(2,26)27)16-6-4-14(5-9-20(31)32)21(25)23(16)33-3/h4-9,11,13,22H,10,12H2,1-3H3,(H,28,29)(H,31,32)/b9-5+/t13-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEIAHMFXVQYONO-WLXWTCBRSA-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 | |||||||||||||||||||
| ChEMBL 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