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canSAR1133036
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(N)=O
    InChI
    InChI=1S/C47H65N11O6/c1-5-29(4)40(46(64)57-37(24-30-15-8-6-9-16-30)43(61)54-36(41(49)59)23-28(2)3)58-45(63)38(25-31-17-10-7-11-18-31)56-44(62)39(26-32-27-53-35-21-13-12-19-33(32)35)55-42(60)34(48)20-14-22-52-47(50)51/h6-13,15-19,21,27-29,34,36-40,53H,5,14,20,22-26,48H2,1-4H3,(H2,49,59)(H,54,61)(H,55,60)(H,56,62)(H,57,64)(H,58,63)(H4,50,51,52)/t29-,34+,36-,37-,38-,39+,40-/m1/s1
    MOLECULAR FORMULA
    C47H65N11O6
    CROSS REFERENCES
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    canSAR1133036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 879.51
    AlogP 1.58
    HBond donors 14
    HBond acceptors 17
    Atoms 129
    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 canSAR1133036.