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canSAR2021511
FEATURES
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NAMES
    SMILES
    COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc4c(c2)OCCN4C)C3=N1
    InChI
    InChI=1S/C35H34N4O9S/c1-37-16-17-48-27-18-22(14-15-25(27)37)49(43,44)39-26(31(40)45-2)19-35-23-12-8-9-13-24(23)38(20-21-10-6-5-7-11-21)30(35)28(32(41)46-3)29(33(42)47-4)36-34(35)39/h5-15,18,26,30H,16-17,19-20H2,1-4H3/t26-,30-,35-/m0/s1
    MOLECULAR FORMULA
    C35H34N4O9S
    CROSS REFERENCES
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    canSAR2021511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 686.20
    AlogP 2.79
    HBond donors 0
    HBond acceptors 13
    Atoms 83
    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 canSAR2021511.