canSAR2159854
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(OC(F)F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCCCC1
    InChI
    InChI=1S/C35H35F3N6O6/c1-42-32(41-44(35(42)46)23-8-10-24(11-9-23)49-34(37)38)33(45)40-22-7-12-29(26(36)19-22)50-28-13-14-39-27-21-31(30(47-2)20-25(27)28)48-18-6-17-43-15-4-3-5-16-43/h7-14,19-21,34H,3-6,15-18H2,1-2H3,(H,40,45)
    MOLECULAR FORMULA
    C35H35F3N6O6
    CROSS REFERENCES
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    canSAR2159854
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight692.26
    AlogP6.17
    HBond donors1
    HBond acceptors12
    Atoms85
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2159854.