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canSAR834601
FEATURES
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NAMES
    SMILES
    NCC[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC(=O)[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC1=O
    InChI
    InChI=1S/C32H45N11O14S2/c33-4-3-17-31(54)41-20(27(35)50)13-59-58-12-16(34)28(51)40-19(8-26(48)49)30(53)36-9-24(46)38-18(5-14-1-2-23(45)21(6-14)43(56)57)29(52)37-10-25(47)42-11-15(44)7-22(42)32(55)39-17/h1-2,6,15-20,22,44-45H,3-5,7-13,33-34H2,(H2,35,50)(H,36,53)(H,37,52)(H,38,46)(H,39,55)(H,40,51)(H,41,54)(H,48,49)/t15-,16-,17+,18+,19-,20-,22+/m1/s1
    MOLECULAR FORMULA
    C32H45N11O14S2
    CROSS REFERENCES
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    canSAR834601

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 871.26
    AlogP -5.99
    HBond donors 15
    HBond acceptors 25
    Atoms 104
    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 canSAR834601.