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canSAR2206826
FEATURES
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NAMES
    SMILES
    CCN(C(=O)Cn1c(C(=O)N[C@H]2CC[C@H](C(=O)OC)CC2)cc2ccsc21)c1cccc(C)c1
    InChI
    InChI=1S/C26H31N3O4S/c1-4-28(21-7-5-6-17(2)14-21)23(30)16-29-22(15-19-12-13-34-25(19)29)24(31)27-20-10-8-18(9-11-20)26(32)33-3/h5-7,12-15,18,20H,4,8-11,16H2,1-3H3,(H,27,31)/t18-,20-
    MOLECULAR FORMULA
    C26H31N3O4S
    CROSS REFERENCES
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    canSAR2206826

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.20
    AlogP 4.53
    HBond donors 1
    HBond acceptors 7
    Atoms 65
    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 canSAR2206826.