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canSAR1119231
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NAMES
    SMILES
    Cc1cccc(Nc2ccc3c(cnn3-c3cccc(C(=O)NCCN4CCN(C5CCC5)CC4)c3)c2)c1Cl
    InChI
    InChI=1S/C31H35ClN6O/c1-22-5-2-10-28(30(22)32)35-25-11-12-29-24(19-25)21-34-38(29)27-9-3-6-23(20-27)31(39)33-13-14-36-15-17-37(18-16-36)26-7-4-8-26/h2-3,5-6,9-12,19-21,26,35H,4,7-8,13-18H2,1H3,(H,33,39)
    MOLECULAR FORMULA
    C31H35ClN6O
    CROSS REFERENCES
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    canSAR1119231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.26
    AlogP 5.63
    HBond donors 2
    HBond acceptors 7
    Atoms 74
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1119231.