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canSAR745282
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NAMES
    SMILES
    COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNC(=O)CCN)c2c1.Cl.Cl
    InChI
    InChI=1S/C23H29ClN4O2.2ClH/c1-30-17-7-9-20-19(15-17)23(18-8-6-16(24)14-21(18)28-20)27-13-5-3-2-4-12-26-22(29)10-11-25;;/h6-9,14-15H,2-5,10-13,25H2,1H3,(H,26,29)(H,27,28);2*1H
    MOLECULAR FORMULA
    C23H31Cl3N4O2
    CROSS REFERENCES
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    canSAR745282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.15
    AlogP 5.33
    HBond donors 4
    HBond acceptors 6
    Atoms 63
    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 canSAR745282.