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canSAR561492
FEATURES
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NAMES
    SMILES
    CC(C)c1nc2c(c(C3CC3)nn2-c2ccccc2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
    InChI
    InChI=1S/C31H32FN3O4/c1-18(2)29-25(15-14-23(36)16-24(37)17-26(38)39)27(19-10-12-21(32)13-11-19)28-30(20-8-9-20)34-35(31(28)33-29)22-6-4-3-5-7-22/h3-7,10-15,18,20,23-24,36-37H,8-9,16-17H2,1-2H3,(H,38,39)/b15-14+/t23-,24-/m1/s1
    MOLECULAR FORMULA
    C31H32FN3O4
    CROSS REFERENCES
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    canSAR561492

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.24
    AlogP 5.83
    HBond donors 3
    HBond acceptors 7
    Atoms 71
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR561492.