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canSAR785647
FEATURES
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NAMES
    SMILES
    C[C@@H](C(=O)NC(C)(C)C)N(CC(O)CNC(=O)[C@@H]1N[C@@H](C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C)CC1CCCCC1
    InChI
    InChI=1S/C40H60N6O5S/c1-27(35(49)45-39(2,3)4)46(25-30-20-14-9-15-21-30)26-31(47)24-42-37(51)34-40(5,6)52-38(44-34)33(36(50)41-23-29-18-12-8-13-19-29)43-32(48)22-28-16-10-7-11-17-28/h7-8,10-13,16-19,27,30-31,33-34,38,44,47H,9,14-15,20-26H2,1-6H3,(H,41,50)(H,42,51)(H,43,48)(H,45,49)/t27-,31?,33?,34-,38+/m0/s1
    MOLECULAR FORMULA
    C40H60N6O5S
    CROSS REFERENCES
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    canSAR785647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 736.43
    AlogP 3.50
    HBond donors 6
    HBond acceptors 11
    Atoms 112
    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 canSAR785647.