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canSAR841918
FEATURES
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NAMES
    SMILES
    C=C1C(=O)OC2=C1CC1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)C2O5
    InChI
    InChI=1S/C23H23NO5/c1-11-14-9-23(27)16-8-13-4-5-15(25)19-17(13)22(23,6-7-24(16)10-12-2-3-12)20(28-19)18(14)29-21(11)26/h4-5,12,16,20,25,27H,1-3,6-10H2/t16-,20?,22+,23?/m1/s1
    MOLECULAR FORMULA
    C23H23NO5
    CROSS REFERENCES
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    canSAR841918

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.16
    AlogP 1.93
    HBond donors 2
    HBond acceptors 6
    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 canSAR841918.