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canSAR745474
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NAMES
    SMILES
    CCCN(CCC)[C@H]1CC[C@H](Nc2nc(NCc3ccc(-c4ccccc4)cc3)c3ncn(C(C)C)c3n2)CC1.Cl
    InChI
    InChI=1S/C33H45N7.ClH/c1-5-20-39(21-6-2)29-18-16-28(17-19-29)36-33-37-31(30-32(38-33)40(23-35-30)24(3)4)34-22-25-12-14-27(15-13-25)26-10-8-7-9-11-26;/h7-15,23-24,28-29H,5-6,16-22H2,1-4H3,(H2,34,36,37,38);1H/t28-,29-;
    MOLECULAR FORMULA
    C33H46ClN7
    CROSS REFERENCES
    745474 logo

    canSAR745474

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 575.35
    AlogP 7.95
    HBond donors 2
    HBond acceptors 7
    Atoms 87
    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 canSAR745474.