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canSAR835871
FEATURES
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NAMES
    SMILES
    CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccccc1N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3
    InChI
    InChI=1S/C48H40N4O11/c1-4-48(57)31-17-35-43-28(19-52(35)45(54)29(31)20-61-47(48)56)27(24-9-5-6-10-32(24)50-43)18-49-33-11-7-8-12-34(33)51-42-26-16-37-36(62-22-63-37)15-25(26)40(41-30(42)21-60-46(41)55)23-13-38(58-2)44(53)39(14-23)59-3/h5-18,30,40-42,51,53,57H,4,19-22H2,1-3H3/b49-18+/t30-,40+,41-,42+,48-/m0/s1
    MOLECULAR FORMULA
    C48H40N4O11
    CROSS REFERENCES
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    canSAR835871

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 848.27
    AlogP 6.37
    HBond donors 3
    HBond acceptors 15
    Atoms 103
    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 canSAR835871.