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canSAR828056
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)CC)n3)nc3c(C)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O
    InChI
    InChI=1S/C40H50N6O9S/c1-8-22-18-40(22,36(50)51)45-34(48)28-16-24(19-46(28)35(49)33(39(4,5)6)44-38(52)55-23-12-10-11-13-23)54-30-17-26(27-20-56-37(42-27)43-31(47)9-2)41-32-21(3)29(53-7)15-14-25(30)32/h8,14-15,17,20,22-24,28,33H,1,9-13,16,18-19H2,2-7H3,(H,44,52)(H,45,48)(H,50,51)(H,42,43,47)/t22-,24-,28+,33-,40-/m1/s1
    MOLECULAR FORMULA
    C40H50N6O9S
    CROSS REFERENCES
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    canSAR828056

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 790.34
    AlogP 5.60
    HBond donors 4
    HBond acceptors 15
    Atoms 106
    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 canSAR828056.