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canSAR387919
FEATURES
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NAMES
    SMILES
    CCC(C)[C@@H](CN(C)[C@H](C(=O)N[C@H]1CCOC1=O)C(C)CC)NC[C@@H](N)CS
    InChI
    InChI=1S/C20H40N4O3S/c1-6-13(3)17(22-10-15(21)12-28)11-24(5)18(14(4)7-2)19(25)23-16-8-9-27-20(16)26/h13-18,22,28H,6-12,21H2,1-5H3,(H,23,25)/t13?,14?,15-,16+,17-,18+/m1/s1
    MOLECULAR FORMULA
    C20H40N4O3S
    CROSS REFERENCES
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    canSAR387919

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.28
    AlogP 1.03
    HBond donors 4
    HBond acceptors 7
    Atoms 68
    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 canSAR387919.