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canSAR546708
FEATURES
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NAMES
    SMILES
    CCC(C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O.Cl
    InChI
    InChI=1S/C81H134N28O21.ClH/c1-8-81(7,109-63(116)41-96-77(129)64(46(6)111)108-75(127)56(37-48-23-13-10-14-24-48)99-62(115)40-94-61(114)39-95-68(120)49(84)36-47-21-11-9-12-22-47)78(130)107-54(28-20-34-93-80(90)91)72(124)103-52(26-16-18-32-83)71(123)106-58(42-110)76(128)98-44(4)66(118)101-53(27-19-33-92-79(88)89)69(121)102-51(25-15-17-31-82)70(122)105-55(35-43(2)3)73(125)97-45(5)67(119)104-57(38-60(86)113)74(126)100-50(65(87)117)29-30-59(85)112;/h9-14,21-24,43-46,49-58,64,110-111H,8,15-20,25-42,82-84H2,1-7H3,(H2,85,112)(H2,86,113)(H2,87,117)(H,94,114)(H,95,120)(H,96,129)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,118)(H,102,121)(H,103,124)(H,104,119)(H,105,122)(H,106,123)(H,107,130)(H,108,127)(H,109,116)(H4,88,89,92)(H4,90,91,93);1H/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,81?;/m0./s1
    MOLECULAR FORMULA
    C81H135ClN28O21
    CROSS REFERENCES
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    canSAR546708

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1871.00
    AlogP -10.46
    HBond donors 38
    HBond acceptors 49
    Atoms 266
    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 canSAR546708.