canSAR2080157
FEATURES
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NAMES
    SMILES
    COCCCNC(=S)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/C29H36ClN3O5S/c1-37-13-3-12-31-29(39)32-15-23-25(34)26(35)27(36)28(38-23)33-16-20(24-21(30)4-2-5-22(24)33)14-17-6-8-18(9-7-17)19-10-11-19/h2,4-9,16,19,23,25-28,34-36H,3,10-15H2,1H3,(H2,31,32,39)/t23-,25-,26+,27-,28-/m1/s1
    MOLECULAR FORMULA
    C29H36ClN3O5S
    CROSS REFERENCES
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    canSAR2080157
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight573.21
    AlogP3.24
    HBond donors5
    HBond acceptors8
    Atoms75
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080157.