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canSAR782232
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1C(=O)C(=O)c1c[nH]c2ccccc12
    InChI
    InChI=1S/C29H22ClN3O4/c1-37-29(36)24-14-20-18-6-3-5-9-23(18)32-25(20)26(16-10-12-17(30)13-11-16)33(24)28(35)27(34)21-15-31-22-8-4-2-7-19(21)22/h2-13,15,24,26,31-32H,14H2,1H3/t24-,26+/m0/s1
    MOLECULAR FORMULA
    C29H22ClN3O4
    CROSS REFERENCES
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    canSAR782232

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.13
    AlogP 5.20
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR782232.