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canSAR1142732
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NAMES
    SMILES
    CC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)CC(c2cccc3ncccc23)=NO1
    InChI
    InChI=1S/C30H24Cl2N4O5/c1-30(16-25(36-41-30)20-5-2-9-23-19(20)6-4-14-33-23)29(40)35-24(28(38)39)15-17-10-12-18(13-11-17)34-27(37)26-21(31)7-3-8-22(26)32/h2-14,24H,15-16H2,1H3,(H,34,37)(H,35,40)(H,38,39)/t24-,30?/m0/s1
    MOLECULAR FORMULA
    C30H24Cl2N4O5
    CROSS REFERENCES
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    canSAR1142732

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.11
    AlogP 5.49
    HBond donors 3
    HBond acceptors 9
    Atoms 65
    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 canSAR1142732.