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canSAR645690
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NAMES
    SMILES
    Cc1cc(NCCCCCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc23)c2ccc([N+](=O)[O-])cc2n1.Cl
    InChI
    InChI=1S/C27H30N6O4.ClH/c1-18-14-24(22-10-8-20(32(34)35)16-26(22)30-18)28-12-6-4-3-5-7-13-29-25-15-19(2)31-27-17-21(33(36)37)9-11-23(25)27;/h8-11,14-17H,3-7,12-13H2,1-2H3,(H,28,30)(H,29,31);1H
    MOLECULAR FORMULA
    C27H31ClN6O4
    CROSS REFERENCES
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    canSAR645690

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.21
    AlogP 7.11
    HBond donors 2
    HBond acceptors 10
    Atoms 69
    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 canSAR645690.