canSAR1087858
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)[C@H](Cc2ccc3c(c2)COP(=O)(O)O3)NC(=O)OCC2c3ccccc3-c3ccccc32)C(N)=O)c2ccccc21
    InChI
    InChI=1S/C41H41N4O10P/c1-41(2,3)54-40(49)45-21-25(27-10-8-9-15-35(27)45)20-33(37(42)46)43-38(47)34(19-24-16-17-36-26(18-24)22-53-56(50,51)55-36)44-39(48)52-23-32-30-13-6-4-11-28(30)29-12-5-7-14-31(29)32/h4-18,21,32-34H,19-20,22-23H2,1-3H3,(H2,42,46)(H,43,47)(H,44,48)(H,50,51)/t33-,34-/m0/s1
    MOLECULAR FORMULA
    C41H41N4O10P
    CROSS REFERENCES
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    canSAR1087858
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight780.26
    AlogP6.10
    HBond donors5
    HBond acceptors14
    Atoms97
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087858.