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canSAR784976
FEATURES
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NAMES
    SMILES
    C[C@H](N)C(=O)N[C@H]1CSCc2cc3cc(c2)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@H](C)O)NC1=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(N)=O)CSC3
    InChI
    InChI=1S/C81H109N21O25S3/c1-40(82)68(115)98-58-38-129-35-47-21-46-22-48(23-47)36-130-39-59(100-75(122)54(27-64(111)112)92-62(109)31-90-71(118)56(33-103)93-63(110)32-88-69(116)50(15-10-20-86-81(84)85)94-79(126)66(41(2)104)101-77(58)124)78(125)102-67(42(3)105)80(127)97-53(26-45-16-18-49(106)19-17-45)74(121)96-55(28-65(113)114)76(123)95-51(24-43-11-6-4-7-12-43)70(117)89-30-61(108)91-52(25-44-13-8-5-9-14-44)73(120)99-57(37-128-34-46)72(119)87-29-60(83)107/h4-9,11-14,16-19,21-23,40-42,50-59,66-67,103-106H,10,15,20,24-39,82H2,1-3H3,(H2,83,107)(H,87,119)(H,88,116)(H,89,117)(H,90,118)(H,91,108)(H,92,109)(H,93,110)(H,94,126)(H,95,123)(H,96,121)(H,97,127)(H,98,115)(H,99,120)(H,100,122)(H,101,124)(H,102,125)(H,111,112)(H,113,114)(H4,84,85,86)/t40-,41-,42-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-,67-/m0/s1
    MOLECULAR FORMULA
    C81H109N21O25S3
    CROSS REFERENCES
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    canSAR784976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1871.71
    AlogP -9.07
    HBond donors 30
    HBond acceptors 46
    Atoms 239
    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 canSAR784976.