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canSAR466993
FEATURES
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NAMES
    SMILES
    CNC(=O)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)O)C(=O)O
    InChI
    InChI=1S/C35H57N9O9/c1-19(2)15-24(31(49)40-23(13-10-14-39-35(36)37)30(48)44-27(34(52)53)18-28(46)38-6)42-32(50)25(16-20(3)4)43-33(51)26(41-29(47)21(5)45)17-22-11-8-7-9-12-22/h7-9,11-12,19-21,23-27,45H,10,13-18H2,1-6H3,(H,38,46)(H,40,49)(H,41,47)(H,42,50)(H,43,51)(H,44,48)(H,52,53)(H4,36,37,39)/t21?,23-,24-,25-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C35H57N9O9
    CROSS REFERENCES
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    canSAR466993

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 747.43
    AlogP -1.60
    HBond donors 12
    HBond acceptors 18
    Atoms 110
    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 canSAR466993.