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canSAR1067640
FEATURES
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NAMES
    SMILES
    COc1cc2cc(C(=O)N3CC(COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCOP(=O)(O)O)ccc43)[nH]c2c(OC)c1OC
    InChI
    InChI=1S/C35H35N4O14PS/c1-49-29-15-22-14-26(37-31(22)33(51-3)32(29)50-2)35(41)38-17-23(18-53-55(47,48)19-20-7-5-4-6-8-20)30-24-10-9-21(34(40)36-11-12-52-54(44,45)46)13-25(24)27(39(42)43)16-28(30)38/h4-10,13-16,23,37H,11-12,17-19H2,1-3H3,(H,36,40)(H2,44,45,46)
    MOLECULAR FORMULA
    C35H35N4O14PS
    CROSS REFERENCES
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    canSAR1067640

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 798.16
    AlogP 4.38
    HBond donors 4
    HBond acceptors 18
    Atoms 90
    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 canSAR1067640.