canSAR158494
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)O)[C@@H](C)O
    InChI
    InChI=1S/C100H142N24O34S2/c1-10-48(4)80(121-94(152)65(39-74(103)131)115-95(153)70(46-125)120-84(142)58(29-32-159-8)107-51(7)128)98(156)123-82(50(6)127)99(157)119-69(43-79(139)140)100(158)124-31-19-26-71(124)96(154)109-57(27-28-72(101)129)83(141)108-59(30-33-160-9)85(143)113-63(37-54-44-105-56-25-18-17-24-55(54)56)88(146)117-67(41-77(135)136)91(149)111-61(35-52-20-13-11-14-21-52)87(145)116-68(42-78(137)138)92(150)118-66(40-76(133)134)90(148)110-60(34-47(2)3)86(144)114-64(38-73(102)130)89(147)112-62(36-53-22-15-12-16-23-53)93(151)122-81(49(5)126)97(155)106-45-75(104)132/h11-18,20-25,44,47-50,57-71,80-82,105,125-127H,10,19,26-43,45-46H2,1-9H3,(H2,101,129)(H2,102,130)(H2,103,131)(H2,104,132)(H,106,155)(H,107,128)(H,108,141)(H,109,154)(H,110,148)(H,111,149)(H,112,147)(H,113,143)(H,114,144)(H,115,153)(H,116,145)(H,117,146)(H,118,150)(H,119,157)(H,120,142)(H,121,152)(H,122,151)(H,123,156)(H,133,134)(H,135,136)(H,137,138)(H,139,140)/t48-,49+,50+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,80-,81-,82-/m0/s1
    MOLECULAR FORMULA
    C100H142N24O34S2
    CROSS REFERENCES
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    canSAR158494
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2286.96
    AlogP-9.68
    HBond donors34
    HBond acceptors58
    Atoms302
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR158494.