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canSAR1063958
FEATURES
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NAMES
    SMILES
    CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=O)CCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O
    InChI
    InChI=1S/C39H64N7O12P/c1-25(2)23-30(43-39(54)32-19-14-22-46(32)27(4)48)37(52)42-29(18-13-21-41-33(49)20-12-7-5-6-9-15-28-16-10-8-11-17-28)36(51)44-31(24-47)38(53)45-34(35(40)50)26(3)58-59(55,56)57/h8,10-11,16-17,25-26,29-32,34,47H,5-7,9,12-15,18-24H2,1-4H3,(H2,40,50)(H,41,49)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H2,55,56,57)/t26-,29+,30+,31+,32+,34+/m1/s1
    MOLECULAR FORMULA
    C39H64N7O12P
    CROSS REFERENCES
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    canSAR1063958

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 853.44
    AlogP 0.44
    HBond donors 10
    HBond acceptors 19
    Atoms 123
    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 canSAR1063958.