General Information of the Compound
| Compound ID |
CP0875488
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[3,5-Difluoro-4-[(6S,8R)-7-(2-fluoro-2-methyl-propyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]-prop-2-enoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N3O2
|
||||||||||||||||||
| Molecular Weight |
443.469
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N3O2/c1-13-8-16-15(5-6-20-17(16)11-28-29-20)23(30(13)12-24(2,3)27)22-18(25)9-14(10-19(22)26)4-7-21(31)32/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAENOLUGFUWJQG-ZAKKQHHBSA-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