canSAR100446
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N1CCN(C(C(=O)NCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1
    InChI
    InChI=1S/C33H37N5O4S/c1-33(2,3)42-32(41)38-17-15-37(16-18-38)29(31(40)35-21-22-9-5-4-6-10-22)24-14-13-23-19-28(43-27(23)20-24)30(39)36-26-12-8-7-11-25(26)34/h4-14,19-20,29H,15-18,21,34H2,1-3H3,(H,35,40)(H,36,39)
    MOLECULAR FORMULA
    C33H37N5O4S
    CROSS REFERENCES
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    canSAR100446
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight599.26
    AlogP5.65
    HBond donors4
    HBond acceptors9
    Atoms80
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR100446.