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canSAR653038
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NAMES
    SMILES
    CN1CCN(Cc2cc3nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc(N4CC5CCC(C4)O5)c3s2)CC1
    InChI
    InChI=1S/C30H34N8O2S/c1-36-11-13-37(14-12-36)19-25-15-26-27(41-25)29(38-17-23-8-9-24(18-38)40-23)35-28(34-26)20-4-6-21(7-5-20)32-30(39)33-22-3-2-10-31-16-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H2,32,33,39)
    MOLECULAR FORMULA
    C30H34N8O2S
    CROSS REFERENCES
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    canSAR653038

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.25
    AlogP 4.51
    HBond donors 2
    HBond acceptors 10
    Atoms 75
    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 canSAR653038.