canSAR2096155
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)CNC(=O)C(Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(nn2)C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)[C@@H](C)O
    InChI
    InChI=1S/C85H135ClN22O21S2/c1-45(2)37-61(80(124)103-66(44-109)71(89)115)99-82(126)65-41-55-43-108(107-106-55)34-20-17-25-56(74(118)91-47(5)72(116)98-64(39-52-21-13-12-14-22-52)81(125)96-58(76(120)100-65)24-16-19-33-88)94-75(119)57(23-15-18-32-87)95-79(123)62(38-46(3)4)101-83(127)69(49(7)111)104-78(122)60(31-36-131-11)97-77(121)59(30-35-130-10)93-67(114)42-90-73(117)63(40-53-26-28-54(86)29-27-53)102-84(128)70(50(8)112)105-85(129)68(48(6)110)92-51(9)113/h12-14,21-22,26-29,43,45-50,56-66,68-70,109-112H,15-20,23-25,30-42,44,87-88H2,1-11H3,(H2,89,115)(H,90,117)(H,91,118)(H,92,113)(H,93,114)(H,94,119)(H,95,123)(H,96,125)(H,97,121)(H,98,116)(H,99,126)(H,100,120)(H,101,127)(H,102,128)(H,103,124)(H,104,122)(H,105,129)/t47-,48+,49+,50+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1
    MOLECULAR FORMULA
    C85H135ClN22O21S2
    CROSS REFERENCES
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    canSAR2096155
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1898.93
    AlogP-4.95
    HBond donors26
    HBond acceptors43
    Atoms266
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096155.