canSAR1746798
FEATURES
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NAMES
    SMILES
    CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2c(F)cccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC2=O)cc1
    InChI
    InChI=1S/C100H134F2N24O32S2/c1-9-56-33-59(158-8)27-28-60(56)57-25-23-55(24-26-57)32-67(90(147)115-65(21-13-18-54-16-11-10-12-17-54)89(146)122-71-46-159-160-47-72(93(150)120-70(45-128)98(155)156)121-86(143)51(4)113-78(135)41-106-74(131)38-105-75(132)39-108-84(141)49(2)114-85(142)50(3)112-77(134)42-107-76(133)40-109-88(71)145)117-91(148)68(35-81(139)140)118-92(149)69(44-127)119-95(152)82(52(5)129)124-99(157)100(7,36-61-62(101)19-14-20-63(61)102)125-96(153)83(53(6)130)123-79(136)43-110-87(144)66(29-30-80(137)138)116-94(151)73-22-15-31-126(73)97(154)64(103)34-58-37-104-48-111-58/h10-12,14,16-17,19-20,23-28,33,37,48-53,64-73,82-83,127-130H,9,13,15,18,21-22,29-32,34-36,38-47,103H2,1-8H3,(H,104,111)(H,105,132)(H,106,131)(H,107,133)(H,108,141)(H,109,145)(H,110,144)(H,112,134)(H,113,135)(H,114,142)(H,115,147)(H,116,151)(H,117,148)(H,118,149)(H,119,152)(H,120,150)(H,121,143)(H,122,146)(H,123,136)(H,124,157)(H,125,153)(H,137,138)(H,139,140)(H,155,156)/t49-,50-,51-,52+,53+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,82-,83-,100-/m0/s1
    MOLECULAR FORMULA
    C100H134F2N24O32S2
    CROSS REFERENCES
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    canSAR1746798
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2284.90
    AlogP-9.21
    HBond donors30
    HBond acceptors56
    Atoms294
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746798.