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canSAR1152207
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NAMES
    SMILES
    CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C3CC3)n2)o1
    InChI
    InChI=1S/C28H37ClN10O2/c1-3-18-16-38(25-23(17-5-6-17)33-21(15-32-25)26-35-36-28(41-26)31-4-2)13-14-39(18)19-9-11-37(12-10-19)27(40)20-7-8-22(29)34-24(20)30/h7-8,15,17-19H,3-6,9-14,16H2,1-2H3,(H2,30,34)(H,31,36)/t18-/m0/s1
    MOLECULAR FORMULA
    C28H37ClN10O2
    CROSS REFERENCES
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    canSAR1152207

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 580.28
    AlogP 3.67
    HBond donors 3
    HBond acceptors 12
    Atoms 78
    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 canSAR1152207.