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canSAR781207
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)C(N)CO)CSSC[C@H](C(=O)NC(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O
    InChI
    InChI=1S/C99H159N35O31S2/c1-9-48(5)76-95(164)116-39-72(142)117-50(7)79(148)122-58(27-28-69(101)139)84(153)129-64(42-136)83(152)115-40-74(144)120-59(32-47(3)4)87(156)131-67(93(162)118-51(8)80(149)124-62(35-70(102)140)89(158)130-66(44-138)91(160)126-61(34-53-22-15-12-16-23-53)88(157)121-55(78(103)147)24-17-29-110-97(104)105)45-166-167-46-68(132-92(161)65(43-137)128-81(150)54(100)41-135)94(163)125-60(33-52-20-13-11-14-21-52)82(151)114-37-71(141)113-38-73(143)119-56(25-18-30-111-98(106)107)85(154)134-77(49(6)10-2)96(165)127-63(36-75(145)146)90(159)123-57(86(155)133-76)26-19-31-112-99(108)109/h11-16,20-23,47-51,54-68,76-77,135-138H,9-10,17-19,24-46,100H2,1-8H3,(H2,101,139)(H2,102,140)(H2,103,147)(H,113,141)(H,114,151)(H,115,152)(H,116,164)(H,117,142)(H,118,162)(H,119,143)(H,120,144)(H,121,157)(H,122,148)(H,123,159)(H,124,149)(H,125,163)(H,126,160)(H,127,165)(H,128,150)(H,129,153)(H,130,158)(H,131,156)(H,132,161)(H,133,155)(H,134,154)(H,145,146)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t48-,49-,50-,51?,54?,55-,56-,57+,58+,59-,60+,61-,62-,63-,64-,65-,66-,67+,68+,76-,77+/m0/s1
    MOLECULAR FORMULA
    C99H159N35O31S2
    CROSS REFERENCES
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    canSAR781207

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2398.14
    AlogP -17.21
    HBond donors 47
    HBond acceptors 66
    Atoms 326
    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 canSAR781207.