789619 logo
canSAR789619
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
    InChI
    InChI=1S/C25H33NO3/c1-6-28-25-10-9-23(14-17(25)22(2,3)4)18-13-15-7-8-16(27)20-19(15)24(23,21(25)29-20)11-12-26(18)5/h7-10,17-18,21,27H,6,11-14H2,1-5H3/t17-,18-,21-,23-,24+,25-/m1/s1
    MOLECULAR FORMULA
    C25H33NO3
    CROSS REFERENCES
    789619 logo

    canSAR789619

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.25
    AlogP 4.05
    HBond donors 1
    HBond acceptors 4
    Atoms 62
    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 canSAR789619.