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canSAR344069
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)NCP(N)(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C
    InChI
    InChI=1S/C48H68N5O9PS2/c1-31(2)41(52-43(54)37(27-64(59,60)47(5,6)7)25-35-21-15-19-33-17-11-13-23-39(33)35)45(56)50-29-63(49,58)30-51-46(57)42(32(3)4)53-44(55)38(28-65(61,62)48(8,9)10)26-36-22-16-20-34-18-12-14-24-40(34)36/h11-24,31-32,37-38,41-42H,25-30H2,1-10H3,(H2,49,58)(H,50,56)(H,51,57)(H,52,54)(H,53,55)/t37-,38-,41+,42+/m1/s1
    MOLECULAR FORMULA
    C48H68N5O9PS2
    CROSS REFERENCES
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    canSAR344069

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 953.42
    AlogP 6.10
    HBond donors 6
    HBond acceptors 14
    Atoms 133
    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 canSAR344069.