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canSAR780650
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)52-35(21-28-14-6-3-7-15-28)42(59)53-37(45(62)63)25-65-64-24-31(47)39(56)50-34(20-27-12-4-2-5-13-27)41(58)51-36(22-29-23-48-32-17-9-8-16-30(29)32)43(60)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,60)(H,50,56)(H,51,58)(H,52,61)(H,53,59)(H,54,57)(H,62,63)/t26-,31-,33+,34+,35+,36+,37+,38-/m1/s1
    MOLECULAR FORMULA
    C45H57N9O9S2
    CROSS REFERENCES
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    canSAR780650

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 931.37
    AlogP 0.42
    HBond donors 13
    HBond acceptors 18
    Atoms 122
    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 canSAR780650.