General Information of the Compound
| Compound ID |
CP0579423
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5187975
Show/Hide
|
||||||||||||||||||
| Formula |
C25H32FN3O2
|
||||||||||||||||||
| Molecular Weight |
425.548
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(Cc2ccc(NC(=O)[C@H]3CC[C@@H](CC3)Oc3ccc(F)cc3)cc2)CCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32FN3O2/c1-18-16-29(15-14-27-18)17-19-2-8-22(9-3-19)28-25(30)20-4-10-23(11-5-20)31-24-12-6-21(26)7-13-24/h2-3,6-9,12-13,18,20,23,27H,4-5,10-11,14-17H2,1H3,(H,28,30)/t18-,20-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYRSAVVVXYWAJX-LEDOBFOHSA-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