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canSAR1014287
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NAMES
    SMILES
    CCOC(=O)Nc1ccccc1[C@@H](c1ccc(C(=O)N(CC)CC)cc1)N1CCN(Cc2cscn2)CC1
    InChI
    InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)23-13-11-22(12-14-23)27(25-9-7-8-10-26(25)31-29(36)37-6-3)34-17-15-32(16-18-34)19-24-20-38-21-30-24/h7-14,20-21,27H,4-6,15-19H2,1-3H3,(H,31,36)/t27-/m1/s1
    MOLECULAR FORMULA
    C29H37N5O3S
    CROSS REFERENCES
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    canSAR1014287

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.26
    AlogP 5.10
    HBond donors 1
    HBond acceptors 8
    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 canSAR1014287.