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canSAR747444
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NAMES
    SMILES
    CC(C)n1cnc2c(NCc3csc(-c4ccccc4)n3)nc(N[C@H]3CC[C@H](N)CC3)nc21.Cl
    InChI
    InChI=1S/C24H30N8S.ClH/c1-15(2)32-14-27-20-21(26-12-19-13-33-23(28-19)16-6-4-3-5-7-16)30-24(31-22(20)32)29-18-10-8-17(25)9-11-18;/h3-7,13-15,17-18H,8-12,25H2,1-2H3,(H2,26,29,30,31);1H/t17-,18-;
    MOLECULAR FORMULA
    C24H31ClN8S
    CROSS REFERENCES
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    canSAR747444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.21
    AlogP 5.25
    HBond donors 4
    HBond acceptors 8
    Atoms 65
    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 canSAR747444.