General Information of the Compound
| Compound ID |
CP0906208
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131462323
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31FN2O2
|
||||||||||||||||||
| Molecular Weight |
422.544
|
||||||||||||||||||
| Canonical SMILES |
O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31FN2O2/c27-22-8-4-7-21(15-22)18-9-11-19(12-10-18)25-23-16-28(26(31)20-5-3-6-20)13-1-2-14-29(23)24(25)17-30/h4,7-12,15,20,23-25,30H,1-3,5-6,13-14,16-17H2/t23-,24-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPXWAHHKOIONJD-UBFVSLLYSA-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