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canSAR1596552
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NAMES
    SMILES
    CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5c(nc6ccccc46)CCCC5)c3[C@H](C1)C2.Cl.Cl.Cl
    InChI
    InChI=1S/C37H43ClN4.3ClH/c1-24-19-25-21-26(20-24)35-34(22-25)42-33-23-27(38)15-16-30(33)37(35)40-18-10-4-2-3-9-17-39-36-28-11-5-7-13-31(28)41-32-14-8-6-12-29(32)36;;;/h5,7,11,13,15-16,19,23,25-26H,2-4,6,8-10,12,14,17-18,20-22H2,1H3,(H,39,41)(H,40,42);3*1H/t25-,26+;;;/m0.../s1
    MOLECULAR FORMULA
    C37H46Cl4N4
    CROSS REFERENCES
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    canSAR1596552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 686.25
    AlogP 11.05
    HBond donors 2
    HBond acceptors 4
    Atoms 91
    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 canSAR1596552.