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canSAR99164
FEATURES
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NAMES
    SMILES
    CCCCC1=C(C)C(=O)[C@@](C)(CN2c3ccccc3[C@@]3(O)CCO[C@@H]23)C1=O
    InChI
    InChI=1S/C22H27NO4/c1-4-5-8-15-14(2)18(24)21(3,19(15)25)13-23-17-10-7-6-9-16(17)22(26)11-12-27-20(22)23/h6-7,9-10,20,26H,4-5,8,11-13H2,1-3H3/t20-,21-,22+/m1/s1
    MOLECULAR FORMULA
    C22H27NO4
    CROSS REFERENCES
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    canSAR99164

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.19
    AlogP 3.11
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    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 canSAR99164.