canSAR823977
FEATURES
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NAMES
    SMILES
    CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)N(C)C(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
    InChI
    InChI=1S/C35H60N6O7S/c1-10-14-24(27(42)30(44)36-22-15-16-22)37-29(43)26-25-23(34(25,7)8)19-41(26)31(45)28(33(4,5)6)38-32(46)39-35(17-12-11-13-18-35)20-49(47,48)40(9)21(2)3/h21-26,28H,10-20H2,1-9H3,(H,36,44)(H,37,43)(H2,38,39,46)/t23-,24-,25-,26-,28+/m0/s1
    MOLECULAR FORMULA
    C35H60N6O7S
    CROSS REFERENCES
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    canSAR823977
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight708.42
    AlogP2.69
    HBond donors4
    HBond acceptors13
    Atoms109
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823977.