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canSAR834346
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CCCC(=O)O)NC(=O)C[S@@+]([O-])C[C@@H](C(N)=O)NC(=O)CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@](C)(CCCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
    InChI
    InChI=1S/C42H63N9O15S/c1-23(2)18-27-39(63)49-28(19-24-12-14-25(52)15-13-24)40(64)51-42(3,16-7-11-35(58)59)41(65)50-29(20-31(43)53)37(61)45-17-5-4-9-32(54)47-30(36(44)60)21-67(66)22-33(55)46-26(38(62)48-27)8-6-10-34(56)57/h12-15,23,26-30,52H,4-11,16-22H2,1-3H3,(H2,43,53)(H2,44,60)(H,45,61)(H,46,55)(H,47,54)(H,48,62)(H,49,63)(H,50,65)(H,51,64)(H,56,57)(H,58,59)/t26-,27-,28-,29-,30-,42-,67-/m0/s1
    MOLECULAR FORMULA
    C42H63N9O15S
    CROSS REFERENCES
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    canSAR834346

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 965.42
    AlogP -2.80
    HBond donors 14
    HBond acceptors 24
    Atoms 130
    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 canSAR834346.