canSAR540576
FEATURES
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NAMES
    SMILES
    O=C(O[C@H]1CN[C@H](C#Cc2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)C1)N1CCCC1
    InChI
    InChI=1S/C30H27ClFN5O3S/c31-26-14-22(7-9-27(26)39-17-19-4-3-5-20(32)12-19)36-28-25-15-24(41-29(25)35-18-34-28)8-6-21-13-23(16-33-21)40-30(38)37-10-1-2-11-37/h3-5,7,9,12,14-15,18,21,23,33H,1-2,10-11,13,16-17H2,(H,34,35,36)/t21-,23-/m1/s1
    MOLECULAR FORMULA
    C30H27ClFN5O3S
    CROSS REFERENCES
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    canSAR540576
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight591.15
    AlogP6.12
    HBond donors2
    HBond acceptors8
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540576.