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canSAR1127699
FEATURES
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NAMES
    SMILES
    COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5cccc(F)c5C)C4)C[C@@H]3C(=O)O)c2c1
    InChI
    InChI=1S/C30H35FN2O4/c1-18-23(4-3-5-27(18)31)20-14-21(15-20)33-13-11-19(26(17-33)30(35)36)6-9-29(34)24-10-12-32-28-8-7-22(37-2)16-25(24)28/h3-5,7-8,10,12,16,19-21,26,29,34H,6,9,11,13-15,17H2,1-2H3,(H,35,36)/t19-,20?,21?,26+,29+/m1/s1
    MOLECULAR FORMULA
    C30H35FN2O4
    CROSS REFERENCES
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    canSAR1127699

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.26
    AlogP 5.47
    HBond donors 2
    HBond acceptors 6
    Atoms 72
    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 canSAR1127699.