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canSAR161673
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C
    InChI
    InChI=1S/C37H51N9O12/c1-18(2)30(36(55)40-17-28(39)48)45-37(56)31(19(3)4)44-35(54)27(16-29(49)50)43-34(53)26(15-22-6-10-23(11-7-22)46(57)58)42-32(51)20(5)41-33(52)25(38)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,38H2,1-5H3,(H2,39,48)(H,40,55)(H,41,52)(H,42,51)(H,43,53)(H,44,54)(H,45,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
    MOLECULAR FORMULA
    C37H51N9O12
    CROSS REFERENCES
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    canSAR161673

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 813.37
    AlogP -1.75
    HBond donors 12
    HBond acceptors 21
    Atoms 109
    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 canSAR161673.