canSAR538790
FEATURES
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NAMES
    SMILES
    CN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(N(C)C)n2)n1.Cl
    InChI
    InChI=1S/C28H56N14.ClH/c1-41(2)27-37-23(29)35-25(39-27)33-21-15-19-31-17-13-11-9-7-5-6-8-10-12-14-18-32-20-16-22-34-26-36-24(30)38-28(40-26)42(3)4;/h31-32H,5-22H2,1-4H3,(H3,29,33,35,37,39)(H3,30,34,36,38,40);1H
    MOLECULAR FORMULA
    C28H57ClN14
    CROSS REFERENCES
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    canSAR538790
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight624.46
    AlogP3.16
    HBond donors8
    HBond acceptors14
    Atoms100
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR538790.