General Information of the Compound
| Compound ID |
CP0458989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-7-(1-benzyl-1H-pyrazol-4-yl)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H28F7N3O2
|
||||||||||||||||||
| Molecular Weight |
643.603
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2cnn(Cc3ccccc3)c2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H28F7N3O2/c1-20(23-11-26(33(36,37)38)15-27(12-23)34(39,40)41)46-30-19-44-29(32(30)22-7-9-28(35)10-8-22)13-24(14-31(44)45)25-16-42-43(18-25)17-21-5-3-2-4-6-21/h2-12,14-16,18,20,29-30,32H,13,17,19H2,1H3/t20-,29?,30+,32+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQYIOYYNSJMENO-MGQAZMLPSA-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