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canSAR1628529
FEATURES
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NAMES
    SMILES
    COCC1OC(OC2OCC3OC4(OCC(O)(C(C)OC)C5OCOC54)OC3C2OC)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2OC(C)C3OC4(CC(O)C(OC5CC(OC6CC(C)([N+](=O)[O-])C(OC)C(C)O6)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3(C)C2O)C1O
    InChI
    InChI=1S/C66H99Cl2NO36/c1-24-37(48(82-13)39(68)40(71)38(24)67)57(75)97-44-25(2)90-35(17-32(44)94-36-19-62(8,69(77)78)53(85-16)28(5)91-36)96-43-27(4)101-65(18-31(43)70)104-54-29(6)93-61(52(74)63(54,9)105-65)99-49-42(73)58(92-26(3)45(49)81-12)98-46-33(20-79-10)95-60(50(83-14)41(46)72)100-59-51(84-15)47-34(21-86-59)102-66(103-47)56-55(87-23-88-56)64(76,22-89-66)30(7)80-11/h25-36,41-47,49-56,58-61,70-74,76H,17-23H2,1-16H3
    MOLECULAR FORMULA
    C66H99Cl2NO36
    CROSS REFERENCES
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    canSAR1628529

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1551.53
    AlogP 0.74
    HBond donors 6
    HBond acceptors 37
    Atoms 204
    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 canSAR1628529.