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canSAR1128542
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NAMES
    SMILES
    CN1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccccc1Cl)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23
    InChI
    InChI=1S/C37H32Cl2N2O2/c1-40-21-25(20-24-10-2-4-16-29(24)38)34(42)36(22-40)33(26-13-3-5-17-30(26)39)31-18-6-7-19-41(31)37(36)28-15-9-12-23-11-8-14-27(32(23)28)35(37)43/h2-5,8-17,20,31,33H,6-7,18-19,21-22H2,1H3/b25-20+/t31-,33-,36-,37-/m0/s1
    MOLECULAR FORMULA
    C37H32Cl2N2O2
    CROSS REFERENCES
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    canSAR1128542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 606.18
    AlogP 7.77
    HBond donors 0
    HBond acceptors 4
    Atoms 75
    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 canSAR1128542.