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canSAR115077
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NAMES
    SMILES
    N=C(NCCCc1c[nH]cn1)NCCC(c1ccccc1)c1ccc(Cl)c(Cl)c1
    InChI
    InChI=1S/C22H25Cl2N5/c23-20-9-8-17(13-21(20)24)19(16-5-2-1-3-6-16)10-12-28-22(25)27-11-4-7-18-14-26-15-29-18/h1-3,5-6,8-9,13-15,19H,4,7,10-12H2,(H,26,29)(H3,25,27,28)
    MOLECULAR FORMULA
    C22H25Cl2N5
    CROSS REFERENCES
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    canSAR115077

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.15
    AlogP 4.99
    HBond donors 4
    HBond acceptors 5
    Atoms 54
    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 canSAR115077.