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canSAR1989423
FEATURES
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NAMES
    SMILES
    O=C(C1=C[C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H](C(=O)c3ccc(Cl)cc3)N2C=C1)c1ccccc1
    InChI
    InChI=1S/C30H20Cl2N2O4/c31-20-11-9-18(10-12-20)28(36)26-25-24(29(37)34(30(25)38)22-8-4-7-21(32)16-22)23-15-19(13-14-33(23)26)27(35)17-5-2-1-3-6-17/h1-16,23-26H/t23-,24-,25-,26+/m1/s1
    MOLECULAR FORMULA
    C30H20Cl2N2O4
    CROSS REFERENCES
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    canSAR1989423

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.08
    AlogP 5.37
    HBond donors 0
    HBond acceptors 6
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1989423.