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canSAR1514794
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NAMES
    SMILES
    CN(CCCNCc1ccc2cccnc2c1O)CCCNc1c2c(nc3ccccc13)CCCC2.Cl.Cl
    InChI
    InChI=1S/C30H37N5O.2ClH/c1-35(19-7-16-31-21-23-15-14-22-9-6-17-32-28(22)30(23)36)20-8-18-33-29-24-10-2-4-12-26(24)34-27-13-5-3-11-25(27)29;;/h2,4,6,9-10,12,14-15,17,31,36H,3,5,7-8,11,13,16,18-21H2,1H3,(H,33,34);2*1H
    MOLECULAR FORMULA
    C30H39Cl2N5O
    CROSS REFERENCES
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    canSAR1514794

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.25
    AlogP 6.12
    HBond donors 3
    HBond acceptors 6
    Atoms 77
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1514794.