1271054 logo
canSAR1271054
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@@H]1[C@H]3C(=O)CCC12OCCO2
    InChI
    InChI=1S/C29H42O5/c1-17(2)19-16-28-11-8-21-26(3,9-6-10-27(21,4)25(31)32-5)22(28)15-18(19)23-24(28)20(30)7-12-29(23)33-13-14-34-29/h16-18,21-24H,6-15H2,1-5H3/t18-,21+,22+,23+,24+,26-,27+,28-/m0/s1
    MOLECULAR FORMULA
    C29H42O5
    CROSS REFERENCES
    1271054 logo

    canSAR1271054

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.30
    AlogP 5.32
    HBond donors 0
    HBond acceptors 5
    Atoms 76
    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 canSAR1271054.