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canSAR1501304
FEATURES
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NAMES
    SMILES
    C[n+]1c(C#Cc2ccc(-c3cccc(Cl)c3)cc2)cccc1C#Cc1ccc(-c2cccc(Cl)c2)cc1.O=S(=O)([O-])C(F)(F)F
    InChI
    InChI=1S/C34H22Cl2N.CHF3O3S/c1-37-33(21-15-25-11-17-27(18-12-25)29-5-2-7-31(35)23-29)9-4-10-34(37)22-16-26-13-19-28(20-14-26)30-6-3-8-32(36)24-30;2-1(3,4)8(5,6)7/h2-14,17-20,23-24H,1H3;(H,5,6,7)/q+1;/p-1
    MOLECULAR FORMULA
    C35H22Cl2F3NO3S
    CROSS REFERENCES
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    canSAR1501304

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 663.06
    AlogP 8.00
    HBond donors 0
    HBond acceptors 4
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1501304.