1153960 logo
canSAR1153960
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C/C(C=O)=C(/C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3
    InChI
    InChI=1S/C29H42O3/c1-17(19(3)16-30)7-8-18(2)22-11-12-24-21-9-10-23-20(4)25(31)13-14-28(23,5)27(21)26(32)15-29(22,24)6/h16,18,20,22-24H,7-15H2,1-6H3/b19-17+/t18-,20+,22-,23+,24+,28+,29-/m1/s1
    MOLECULAR FORMULA
    C29H42O3
    CROSS REFERENCES
    1153960 logo

    canSAR1153960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.31
    AlogP 6.66
    HBond donors 0
    HBond acceptors 3
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1153960.