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canSAR668951
FEATURES
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NAMES
    SMILES
    CCCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1
    InChI
    InChI=1S/C31H45F4N5O3S2/c1-2-18-45(42,43)39-15-10-28-26(22-39)30(36-40(28)21-25(41)20-38-11-4-3-5-12-38)23-6-7-27(31(33,34)35)29(19-23)44-17-16-37-13-8-24(32)9-14-37/h6-7,19,24-25,41H,2-5,8-18,20-22H2,1H3/t25-/m0/s1
    MOLECULAR FORMULA
    C31H45F4N5O3S2
    CROSS REFERENCES
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    canSAR668951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 675.29
    AlogP 5.04
    HBond donors 1
    HBond acceptors 8
    Atoms 90
    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 canSAR668951.