1151843 logo
canSAR1151843
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    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=O)[C@@H](C)C(=O)O
    InChI
    InChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17-,18+,19-,20+,21+,28+,29-/m1/s1
    MOLECULAR FORMULA
    C29H40O5
    CROSS REFERENCES
    1151843 logo

    canSAR1151843

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.29
    AlogP 5.58
    HBond donors 1
    HBond acceptors 5
    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 canSAR1151843.