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canSAR396624
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NAMES
    SMILES
    COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@@H](C)C3)cc12
    InChI
    InChI=1S/C27H31N3O4S/c1-16-11-17(26-13-20-23(33-2)6-4-8-25(20)35-26)9-10-30(16)14-18(31)15-34-24-7-3-5-21-19(24)12-22(29-21)27(28)32/h3-8,12-13,16-18,29,31H,9-11,14-15H2,1-2H3,(H2,28,32)/t16-,17+,18-/m0/s1
    MOLECULAR FORMULA
    C27H31N3O4S
    CROSS REFERENCES
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    canSAR396624

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.20
    AlogP 4.50
    HBond donors 4
    HBond acceptors 7
    Atoms 66
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR396624.