canSAR823727
FEATURES
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NAMES
    SMILES
    COC(=O)CC(SCC(N)C(=O)O)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
    InChI
    InChI=1S/C28H37N3O8S/c1-38-21(33)11-19(40-13-16(29)26(35)36)25(34)30-17-6-7-28(37)20-10-15-4-5-18(32)23-22(15)27(28,24(17)39-23)8-9-31(20)12-14-2-3-14/h4-5,14,16-17,19-20,24,32,37H,2-3,6-13,29H2,1H3,(H,30,34)(H,35,36)/t16?,17-,19?,20-,24+,27+,28-/m1/s1
    MOLECULAR FORMULA
    C28H37N3O8S
    CROSS REFERENCES
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    canSAR823727
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight575.23
    AlogP0.52
    HBond donors6
    HBond acceptors11
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823727.