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canSAR747597
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NAMES
    SMILES
    CCN(CC)[C@H]1CC[C@H](Nc2nc(NCc3ccc(-c4ccccc4)cc3)c3ncn(C(C)C)c3n2)CC1
    InChI
    InChI=1S/C31H41N7/c1-5-37(6-2)27-18-16-26(17-19-27)34-31-35-29(28-30(36-31)38(21-33-28)22(3)4)32-20-23-12-14-25(15-13-23)24-10-8-7-9-11-24/h7-15,21-22,26-27H,5-6,16-20H2,1-4H3,(H2,32,34,35,36)/t26-,27-
    MOLECULAR FORMULA
    C31H41N7
    CROSS REFERENCES
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    canSAR747597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.34
    AlogP 6.75
    HBond donors 2
    HBond acceptors 7
    Atoms 79
    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 canSAR747597.