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canSAR783935
FEATURES
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NAMES
    SMILES
    O=C(CCCC[C@@H]1SCC2NC(=O)NC21)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2
    InChI
    InChI=1S/C20H25N3O5S/c24-17(4-2-1-3-16-18-14(10-29-16)22-20(27)23-18)21-13-6-5-11-8-15(19(25)26)28-9-12(11)7-13/h5-7,14-16,18H,1-4,8-10H2,(H,21,24)(H,25,26)(H2,22,23,27)/t14?,15-,16-,18?/m0/s1
    MOLECULAR FORMULA
    C20H25N3O5S
    CROSS REFERENCES
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    canSAR783935

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.15
    AlogP 1.88
    HBond donors 4
    HBond acceptors 8
    Atoms 54
    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 canSAR783935.