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canSAR74804
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NAMES
    SMILES
    O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cccc(O)c23)CC1
    InChI
    InChI=1S/C27H31Cl2N3O2/c28-22-9-7-19(17-23(22)29)8-10-26(34)30-13-2-1-3-14-32-15-11-20(12-16-32)21-18-31-24-5-4-6-25(33)27(21)24/h4-10,17-18,20,31,33H,1-3,11-16H2,(H,30,34)/b10-8+
    MOLECULAR FORMULA
    C27H31Cl2N3O2
    CROSS REFERENCES
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    canSAR74804

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.18
    AlogP 6.36
    HBond donors 3
    HBond acceptors 5
    Atoms 65
    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 canSAR74804.