842523 logo
canSAR842523
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5
    InChI
    InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
    MOLECULAR FORMULA
    C26H37NO4
    CROSS REFERENCES
    842523 logo

    canSAR842523

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.27
    AlogP 3.63
    HBond donors 2
    HBond acceptors 5
    Atoms 68
    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 canSAR842523.