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canSAR1507534
FEATURES
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NAMES
    SMILES
    Cc1ccccc1-c1ccc(C#Cc2cccc(C#Cc3ccc(-c4ccccc4C)cc3)[n+]2C)cc1.O=S(=O)([O-])C(F)(F)F
    InChI
    InChI=1S/C36H28N.CHF3O3S/c1-27-9-4-6-13-35(27)31-21-15-29(16-22-31)19-25-33-11-8-12-34(37(33)3)26-20-30-17-23-32(24-18-30)36-14-7-5-10-28(36)2;2-1(3,4)8(5,6)7/h4-18,21-24H,1-3H3;(H,5,6,7)/q+1;/p-1
    MOLECULAR FORMULA
    C37H28F3NO3S
    CROSS REFERENCES
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    canSAR1507534

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 623.17
    AlogP 7.31
    HBond donors 0
    HBond acceptors 4
    Atoms 73
    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 canSAR1507534.