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canSAR916724
FEATURES
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NAMES
    SMILES
    CN(C)c1ccc(/C=C/C=N/C2=C(C#N)C(c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1
    InChI
    InChI=1S/C33H29Cl2N5O3S/c1-39(2)23-11-8-21(9-12-23)5-4-18-38-33-27(20-36)31(26-17-10-22(34)19-28(26)35)32-29(6-3-7-30(32)41)40(33)24-13-15-25(16-14-24)44(37,42)43/h4-5,8-19,31H,3,6-7H2,1-2H3,(H2,37,42,43)/b5-4+,38-18+
    MOLECULAR FORMULA
    C33H29Cl2N5O3S
    CROSS REFERENCES
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    canSAR916724

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 645.14
    AlogP 6.84
    HBond donors 2
    HBond acceptors 8
    Atoms 73
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR916724.