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canSAR176608
FEATURES
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NAMES
    SMILES
    CCN(CC1CC1)C1Cc2ccc(O)c3c2[C@@]2(C)[C@@H](O3)C(NC(=O)C(N)CC(=O)O)CC[C@@]12O
    InChI
    InChI=1S/C25H35N3O6/c1-3-28(12-13-4-5-13)18-10-14-6-7-17(29)21-20(14)24(2)22(34-21)16(8-9-25(18,24)33)27-23(32)15(26)11-19(30)31/h6-7,13,15-16,18,22,29,33H,3-5,8-12,26H2,1-2H3,(H,27,32)(H,30,31)/t15?,16?,18?,22-,24-,25+/m0/s1
    MOLECULAR FORMULA
    C25H35N3O6
    CROSS REFERENCES
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    canSAR176608

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.25
    AlogP 0.88
    HBond donors 6
    HBond acceptors 9
    Atoms 69
    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 canSAR176608.