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canSAR834007
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)CCSSCC(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(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=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/C101H154N32O30S2/c1-8-52(5)81-96(160)117-45-76(141)118-54(7)83(147)123-62(30-31-72(102)137)88(152)130-69(48-134)86(150)116-46-78(143)121-63(37-51(3)4)84(148)115-47-79(144)122-71(95(159)127-66(41-73(103)138)92(156)131-70(49-135)94(158)126-65(39-56-21-14-11-15-22-56)91(155)124-60(24-17-34-111-100(106)107)87(151)129-68(98(162)163)40-57-26-28-58(136)29-27-57)50-165-164-36-32-74(139)120-64(38-55-19-12-10-13-20-55)85(149)114-43-75(140)113-44-77(142)119-59(23-16-33-110-99(104)105)89(153)133-82(53(6)9-2)97(161)128-67(42-80(145)146)93(157)125-61(90(154)132-81)25-18-35-112-101(108)109/h10-15,19-22,26-29,51-54,59-71,81-82,134-136H,8-9,16-18,23-25,30-50H2,1-7H3,(H2,102,137)(H2,103,138)(H,113,140)(H,114,149)(H,115,148)(H,116,150)(H,117,160)(H,118,141)(H,119,142)(H,120,139)(H,121,143)(H,122,144)(H,123,147)(H,124,155)(H,125,157)(H,126,158)(H,127,159)(H,128,161)(H,129,151)(H,130,152)(H,131,156)(H,132,154)(H,133,153)(H,145,146)(H,162,163)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71?,81-,82-/m0/s1
    MOLECULAR FORMULA
    C101H154N32O30S2
    CROSS REFERENCES
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    canSAR834007

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2359.10
    AlogP -12.45
    HBond donors 42
    HBond acceptors 62
    Atoms 319
    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 canSAR834007.