canSAR743921
FEATURES
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NAMES
    SMILES
    Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(-c3cc4ccc(C(=O)O)cc4[nH]3)ccc2N(CC(=O)O)CC(=O)O)c1
    InChI
    InChI=1S/C32H31N3O12/c1-18-2-6-24(34(14-28(36)37)15-29(38)39)26(10-18)46-8-9-47-27-13-20(5-7-25(27)35(16-30(40)41)17-31(42)43)22-11-19-3-4-21(32(44)45)12-23(19)33-22/h2-7,10-13,33H,8-9,14-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)
    MOLECULAR FORMULA
    C32H31N3O12
    CROSS REFERENCES
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    canSAR743921
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight649.19
    AlogP3.25
    HBond donors6
    HBond acceptors15
    Atoms78
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR743921.