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canSAR1647814
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3nnnc3C(=O)OCc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C30H26N4O9/c1-38-22-8-16(9-23(39-2)27(22)35)24-17-10-20-21(43-14-42-20)11-18(17)26(19-13-41-29(36)25(19)24)34-28(31-32-33-34)30(37)40-12-15-6-4-3-5-7-15/h3-11,19,24-26,35H,12-14H2,1-2H3/t19-,24+,25-,26+/m0/s1
    MOLECULAR FORMULA
    C30H26N4O9
    CROSS REFERENCES
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    canSAR1647814

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.17
    AlogP 3.01
    HBond donors 1
    HBond acceptors 13
    Atoms 69
    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 canSAR1647814.