canSAR2080245
FEATURES
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NAMES
    SMILES
    O=C(O)CC(=O)NC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C27H29ClN2O7/c28-18-2-1-3-19-23(18)17(10-14-4-6-15(7-5-14)16-8-9-16)13-30(19)27-26(36)25(35)24(34)20(37-27)12-29-21(31)11-22(32)33/h1-7,13,16,20,24-27,34-36H,8-12H2,(H,29,31)(H,32,33)/t20-,24-,25+,26-,27-/m1/s1
    MOLECULAR FORMULA
    C27H29ClN2O7
    CROSS REFERENCES
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    canSAR2080245
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight528.17
    AlogP2.33
    HBond donors5
    HBond acceptors9
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080245.