Synonyms: FK 480 | FK-480 | FR-120480
|
|
2D Structure
|
|
Physico-chemical Properties
|
|
Hydrogen bond acceptors
|
5
|
Hydrogen bond donors
|
2
|
Rotatable bonds
|
4
|
Topological polar surface area
|
77.56
|
Molecular weight
|
438.15
|
XLogP
|
4.46
|
No. Lipinski's rules broken
|
0
|
|
SMILES / InChI / InChIKey
|
|
Canonical SMILES
|
O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2
|
Isomeric SMILES
|
O=C(c1cc2c([nH]1)cccc2)N[C@H]1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2
|
InChI
|
InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1
|
InChI Key
|
WKJDXKWFGJWGAS-XMMPIXPASA-N
|
|
|