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canSAR565719
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)O.CS(=O)(=O)O.C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3c2c(cc2ccccc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O
    InChI
    InChI=1S/C36H31N5O6.2CH4O3S/c1-20(39-33(42)27-11-5-8-23-15-24(41(46)47)17-30(31(23)27)36(39)45)18-37-13-14-38-19-21(2)40-34(43)28-12-6-10-26-25-9-4-3-7-22(25)16-29(32(26)28)35(40)44;2*1-5(2,3)4/h3-12,15-17,20-21,37-38H,13-14,18-19H2,1-2H3;2*1H3,(H,2,3,4)/t20-,21-;;/m1../s1
    MOLECULAR FORMULA
    C38H39N5O12S2
    CROSS REFERENCES
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    canSAR565719

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 821.20
    AlogP 3.91
    HBond donors 4
    HBond acceptors 17
    Atoms 96
    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 canSAR565719.