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canSAR1141551
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)=O)n3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)NC(C)(C)C)C(C)(C)C)C(=O)O
    InChI
    InChI=1S/C37H46N6O9S/c1-10-20-16-37(20,32(47)48)41-30(45)27-14-22(17-43(27)31(46)29(35(3,4)5)52-34(49)42-36(6,7)8)51-28-15-25(26-18-53-33(40-26)38-19(2)44)39-24-13-21(50-9)11-12-23(24)28/h10-13,15,18,20,22,27,29H,1,14,16-17H2,2-9H3,(H,41,45)(H,42,49)(H,47,48)(H,38,40,44)/t20-,22-,27+,29-,37-/m1/s1
    MOLECULAR FORMULA
    C37H46N6O9S
    CROSS REFERENCES
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    canSAR1141551

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 750.30
    AlogP 4.76
    HBond donors 4
    HBond acceptors 15
    Atoms 99
    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 canSAR1141551.