canSAR2100799
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](Cc1cncn1CCCCCCO/N=C/c1cnc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O
    InChI
    InChI=1S/C42H61N10O12P/c1-26(2)18-33(48-42(59)36-14-11-16-52(36)28(4)54)39(56)47-34(40(57)49-35(24-53)41(58)50-37(38(43)55)27(3)64-65(60,61)62)20-31-23-44-25-51(31)15-9-5-6-10-17-63-46-22-29-19-30-12-7-8-13-32(30)45-21-29/h7-8,12-13,19,21-23,25-27,33-37,53H,5-6,9-11,14-18,20,24H2,1-4H3,(H2,43,55)(H,47,56)(H,48,59)(H,49,57)(H,50,58)(H2,60,61,62)/b46-22+/t27-,33+,34+,35+,36+,37+/m1/s1
    MOLECULAR FORMULA
    C42H61N10O12P
    CROSS REFERENCES
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    canSAR2100799
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight928.42
    AlogP0.56
    HBond donors9
    HBond acceptors22
    Atoms126
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100799.