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canSAR386360
FEATURES
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NAMES
    SMILES
    COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS)NC=O
    InChI
    InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(9-10-30)22-13-25)20(27)24-18(21(28)29-3)12-15-7-5-4-6-8-15/h4-8,13-14,16-18,30H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t16-,17-,18-/m0/s1
    MOLECULAR FORMULA
    C21H31N3O5S
    CROSS REFERENCES
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    canSAR386360

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.20
    AlogP 0.85
    HBond donors 3
    HBond acceptors 8
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR386360.