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canSAR746347
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NAMES
    SMILES
    Cl.N#CC(CCCNCc1cc2ccccc2c2ccccc12)(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C32H28N2.ClH/c33-24-32(27-13-3-1-4-14-27,28-15-5-2-6-16-28)20-11-21-34-23-26-22-25-12-7-8-17-29(25)31-19-10-9-18-30(26)31;/h1-10,12-19,22,34H,11,20-21,23H2;1H
    MOLECULAR FORMULA
    C32H29ClN2
    CROSS REFERENCES
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    canSAR746347

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.20
    AlogP 7.79
    HBond donors 1
    HBond acceptors 2
    Atoms 64
    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 canSAR746347.