canSAR1085520
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1c2cc(Cl)ccc2OC[C@H]1O)C(C)(C)C
    InChI
    InChI=1S/C42H48Cl2N4O8/c1-42(2,3)38(48-41(53)55-5)40(52)46-32(18-24-10-12-25(13-11-24)27-14-17-36(54-4)45-22-27)33(49)20-28(19-26-8-6-7-9-31(26)44)39(51)47-37-30-21-29(43)15-16-35(30)56-23-34(37)50/h6-17,21-22,28,32-34,37-38,49-50H,18-20,23H2,1-5H3,(H,46,52)(H,47,51)(H,48,53)/t28-,32+,33+,34-,37+,38-/m1/s1
    MOLECULAR FORMULA
    C42H48Cl2N4O8
    CROSS REFERENCES
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    canSAR1085520
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight806.28
    AlogP6.08
    HBond donors5
    HBond acceptors12
    Atoms104
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1085520.