General Information of the Compound
| Compound ID |
CP0560241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
13-(3-fluorophenyl)-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20FN3O
|
||||||||||||||||||
| Molecular Weight |
397.453
|
||||||||||||||||||
| Canonical SMILES |
Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccc(F)c3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20FN3O/c26-16-7-3-5-15(13-16)20-18-11-10-14-6-4-12-28-23(14)24(18)30-25-21(20)22(27)17-8-1-2-9-19(17)29-25/h3-7,10-13,20H,1-2,8-9H2,(H2,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIEJCGGPITUYIN-UHFFFAOYSA-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