General Information of the Compound
| Compound ID |
CP0577026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-phenoxyazetidin-1-yl)-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C19H19N3O2
|
||||||||||||||||||
| Molecular Weight |
321.38
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CC(C1)Oc1ccccc1)N1N=CC[C@H]1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O2/c23-19(21-13-17(14-21)24-16-9-5-2-6-10-16)22-18(11-12-20-22)15-7-3-1-4-8-15/h1-10,12,17-18H,11,13-14H2/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXQXEBXTVDNFGS-SFHVURJKSA-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 | |||||||||||||||||||
| 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