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canSAR1143467
FEATURES
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NAMES
    SMILES
    NC(=O)CC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O
    InChI
    InChI=1S/C34H36N6O12/c35-25(41)11-9-22(32(49)37-16-27(43)39-23(10-12-28(44)45)33(50)40-13-3-6-24(40)34(51)52)38-26(42)15-36-31(48)17-7-8-20-21(14-17)18-4-1-2-5-19(18)29(46)30(20)47/h1-2,4-5,7-8,14,22-24H,3,6,9-13,15-16H2,(H2,35,41)(H,36,48)(H,37,49)(H,38,42)(H,39,43)(H,44,45)(H,51,52)/t22-,23-,24-/m0/s1
    MOLECULAR FORMULA
    C34H36N6O12
    CROSS REFERENCES
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    canSAR1143467

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 720.24
    AlogP -1.25
    HBond donors 8
    HBond acceptors 18
    Atoms 88
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1143467.