1155241 logo
canSAR1155241
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(=O)N(C)C)C=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1
    InChI
    InChI=1S/C31H43NO8/c1-16-12-23(38-27(36)19(16)14-33)17(2)20-6-7-21-18-13-26-31(40-26)25(39-28(37)32(4)5)9-8-24(35)30(31,15-34)22(18)10-11-29(20,21)3/h8-9,17-18,20-23,25-26,33-34H,6-7,10-15H2,1-5H3/t17-,18-,20+,21-,22-,23+,25-,26+,29+,30-,31+/m0/s1
    MOLECULAR FORMULA
    C31H43NO8
    CROSS REFERENCES
    1155241 logo

    canSAR1155241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.30
    AlogP 3.03
    HBond donors 2
    HBond acceptors 9
    Atoms 83
    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 canSAR1155241.