canSAR1847012
FEATURES
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NAMES
    SMILES
    CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5c(nc6ccccc46)CCCC5)c3C(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
    MOLECULAR FORMULA
    C37H46Cl4N4
    CROSS REFERENCES
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    canSAR1847012
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight686.25
    AlogP11.05
    HBond donors2
    HBond acceptors4
    Atoms91
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1847012.