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canSAR654908
FEATURES
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NAMES
    SMILES
    CCOC(=O)C(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)(CCCc1ncc(CN[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(=O)OC)C(C)C)n1C)C(=O)OCC
    InChI
    InChI=1S/C50H77N5O8S/c1-12-62-48(59)50(49(60)63-13-2,30-27-38(8)23-18-22-37(7)21-17-20-35(3)4)29-19-26-43-51-33-40(55(43)9)34-52-44(36(5)6)46(57)54-42(32-39-24-15-14-16-25-39)45(56)53-41(28-31-64-11)47(58)61-10/h14-16,20,22,24-25,27,33,36,41-42,44,52H,12-13,17-19,21,23,26,28-32,34H2,1-11H3,(H,53,56)(H,54,57)/b37-22+,38-27+/t41-,42-,44-/m0/s1
    MOLECULAR FORMULA
    C50H77N5O8S
    CROSS REFERENCES
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    canSAR654908

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 907.55
    AlogP 7.92
    HBond donors 3
    HBond acceptors 13
    Atoms 141
    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 canSAR654908.