990545 logo
canSAR990545
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(O)c(=O)c(O)c2c1C[C@@H](C(C)(O)CN1CCCCC1)CC2
    InChI
    InChI=1S/C20H29NO4/c1-13-10-17(22)19(24)18(23)15-7-6-14(11-16(13)15)20(2,25)12-21-8-4-3-5-9-21/h10,14,25H,3-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,20?/m0/s1
    MOLECULAR FORMULA
    C20H29NO4
    CROSS REFERENCES
    990545 logo

    canSAR990545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 347.21
    AlogP 2.11
    HBond donors 3
    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 canSAR990545.