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canSAR1142030
FEATURES
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NAMES
    SMILES
    CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCCCC
    InChI
    InChI=1S/C32H41N5O12S/c1-3-5-16-47-29(39)19-33-30(40)25(21-50-27-14-12-23(36(43)44)18-26(27)37(45)46)34-28(38)15-13-24(31(41)48-17-6-4-2)35-32(42)49-20-22-10-8-7-9-11-22/h7-12,14,18,24-25H,3-6,13,15-17,19-21H2,1-2H3,(H,33,40)(H,34,38)(H,35,42)/t24-,25-/m0/s1
    MOLECULAR FORMULA
    C32H41N5O12S
    CROSS REFERENCES
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    canSAR1142030

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 719.25
    AlogP 3.96
    HBond donors 3
    HBond acceptors 17
    Atoms 91
    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 canSAR1142030.