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canSAR468392
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C
    InChI
    InChI=1S/C47H70N2O13/c1-27-30(58-40(52)34(51)37(42(3,4)5)48-41(53)62-43(6,7)8)23-47(54)39(56-25-29-15-13-12-14-16-29)36-45(11,18-17-31-46(36,26-57-31)61-28(2)50)38-35(33(27)44(47,9)10)59-32(60-38)24-49-19-21-55-22-20-49/h12-16,30-32,34-39,51,54H,17-26H2,1-11H3,(H,48,53)/t30-,31+,32+,34+,35+,36-,37+,38+,39-,45+,46-,47+/m0/s1
    MOLECULAR FORMULA
    C47H70N2O13
    CROSS REFERENCES
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    canSAR468392

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 870.49
    AlogP 4.83
    HBond donors 3
    HBond acceptors 15
    Atoms 132
    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 canSAR468392.