canSAR2187585
FEATURES
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NAMES
    SMILES
    NC(=O)C12CC3CC(C1)C(NC(=O)C1(CNC(=O)N4CCNc5ccccc54)CC1)C(C3)C2
    InChI
    InChI=1S/C25H33N5O3/c26-21(31)25-11-15-9-16(12-25)20(17(10-15)13-25)29-22(32)24(5-6-24)14-28-23(33)30-8-7-27-18-3-1-2-4-19(18)30/h1-4,15-17,20,27H,5-14H2,(H2,26,31)(H,28,33)(H,29,32)/t15?,16?,17?,20-,25?
    MOLECULAR FORMULA
    C25H33N5O3
    CROSS REFERENCES
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    canSAR2187585
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight451.26
    AlogP2.20
    HBond donors5
    HBond acceptors8
    Atoms66
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2187585.