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canSAR642927
FEATURES
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NAMES
    SMILES
    CN(C)c1ccc(/C=C/C=C\c2cc(/C=C/C=C/c3ccc(N(C)C)cc3)[s+]c3ccccc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
    InChI
    InChI=1S/C33H33N2S.ClHO4/c1-34(2)29-21-17-26(18-22-29)11-5-7-13-28-25-31(36-33-16-10-9-15-32(28)33)14-8-6-12-27-19-23-30(24-20-27)35(3)4;2-1(3,4)5/h5-25H,1-4H3;(H,2,3,4,5)/q+1;/p-1/b11-5+,12-6+,13-7-,14-8+;
    MOLECULAR FORMULA
    C33H33ClN2O4S
    CROSS REFERENCES
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    canSAR642927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 588.18
    AlogP 4.01
    HBond donors 0
    HBond acceptors 6
    Atoms 74
    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 canSAR642927.