canSAR74030
FEATURES
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NAMES
    SMILES
    Cc1cc(C)nc(O[C@H](C(=O)O)[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)n1
    InChI
    InChI=1S/C30H27ClN4O4/c1-19-16-20(2)34-29(33-19)39-27(28(37)38)30(22-8-4-3-5-9-22)24-10-6-7-11-25(24)35(26(36)17-32-30)18-21-12-14-23(31)15-13-21/h3-16,27,32H,17-18H2,1-2H3,(H,37,38)/t27-,30+/m1/s1
    MOLECULAR FORMULA
    C30H27ClN4O4
    CROSS REFERENCES
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    canSAR74030
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.17
    AlogP4.66
    HBond donors2
    HBond acceptors8
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR74030.