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canSAR1685333
FEATURES
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NAMES
    SMILES
    CNCCn1c(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2C)OCO3)cc(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)c1C
    InChI
    InChI=1S/C37H38N6O5/c1-23-15-25-7-5-6-8-26(25)20-42(23)36(45)32-18-35-34(47-22-48-35)17-31(32)33-16-30(24(2)41(33)14-13-38-3)37(46)43(28-19-39-40(4)21-28)27-9-11-29(44)12-10-27/h5-12,16-19,21,23,38,44H,13-15,20,22H2,1-4H3/t23-/m1/s1
    MOLECULAR FORMULA
    C37H38N6O5
    CROSS REFERENCES
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    canSAR1685333

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 646.29
    AlogP 5.42
    HBond donors 2
    HBond acceptors 11
    Atoms 86
    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 canSAR1685333.