canSAR1711114
FEATURES
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NAMES
    SMILES
    C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N(Cc1ccccc1)[C@H](CCCCNc1cc(Cl)c(C(=O)O)cc1S(N)(=O)=O)C(=O)O.Cl
    InChI
    InChI=1S/C33H39ClN4O9S.ClH/c1-21(37-26(32(42)43)16-15-22-10-4-2-5-11-22)30(39)38(20-23-12-6-3-7-13-23)28(33(44)45)14-8-9-17-36-27-19-25(34)24(31(40)41)18-29(27)48(35,46)47;/h2-7,10-13,18-19,21,26,28,36-37H,8-9,14-17,20H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H2,35,46,47);1H/t21-,26-,28+;/m0./s1
    MOLECULAR FORMULA
    C33H40Cl2N4O9S
    CROSS REFERENCES
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    canSAR1711114
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight738.19
    AlogP4.24
    HBond donors7
    HBond acceptors13
    Atoms89
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711114.