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canSAR655545
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)[C@@H](C)O)C(=O)O
    InChI
    InChI=1S/C33H50N6O9S2/c1-18(2)14-23(30(42)37-24(33(45)46)15-19(3)4)36-32(44)29(20(5)40)38-31(43)25(17-49)35-28(41)16-34-50(47,48)27-13-9-10-21-22(27)11-8-12-26(21)39(6)7/h8-13,18-20,23-25,29,34,40,49H,14-17H2,1-7H3,(H,35,41)(H,36,44)(H,37,42)(H,38,43)(H,45,46)/t20-,23+,24+,25+,29+/m1/s1
    MOLECULAR FORMULA
    C33H50N6O9S2
    CROSS REFERENCES
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    canSAR655545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.31
    AlogP 0.61
    HBond donors 7
    HBond acceptors 15
    Atoms 100
    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 canSAR655545.