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canSAR1724029
FEATURES
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NAMES
    SMILES
    COC(=O)C1C(O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)C3C[C@@H]12
    InChI
    InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17?,18?,19?/m1/s1
    MOLECULAR FORMULA
    C21H26N2O3
    CROSS REFERENCES
    1724029 logo

    canSAR1724029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 354.19
    AlogP 2.65
    HBond donors 2
    HBond acceptors 5
    Atoms 52
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1724029.