canSAR2102646
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](C(O)=N[C@@H](CCC(=O)O)C(=O)O)N(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1
    InChI
    InChI=1S/C25H31FN4O7S/c1-13(2)10-18(23(33)29-17(24(34)35)6-9-21(31)32)30(3)12-15-5-8-20(38-15)25(36)37-19-7-4-14(22(27)28)11-16(19)26/h4-5,7-8,11,13,17-18H,6,9-10,12H2,1-3H3,(H3,27,28)(H,29,33)(H,31,32)(H,34,35)/t17-,18+/m0/s1
    MOLECULAR FORMULA
    C25H31FN4O7S
    CROSS REFERENCES
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    canSAR2102646
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight550.19
    AlogP3.51
    HBond donors6
    HBond acceptors11
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2102646.