2205764 logo
canSAR2205764
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)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](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O
    InChI
    InChI=1S/C108H180N36O28S/c1-54(2)43-71(139-96(163)69(35-37-81(112)148)135-105(172)86(59(10)145)144-88(155)58(9)126-104(171)79(53-173)127-60(11)146)97(164)132-65(31-22-40-122-106(116)117)90(157)130-67(33-24-42-124-108(120)121)94(161)141-75(47-61-25-14-12-15-26-61)89(156)125-52-84(151)128-78(51-85(152)153)103(170)131-64(30-19-21-39-110)93(160)138-74(46-57(7)8)100(167)143-77(50-83(114)150)102(169)142-76(48-62-27-16-13-17-28-62)101(168)133-66(32-23-41-123-107(118)119)91(158)134-68(34-36-80(111)147)95(162)129-63(29-18-20-38-109)92(159)137-73(45-56(5)6)99(166)140-72(44-55(3)4)98(165)136-70(87(115)154)49-82(113)149/h12-17,25-28,54-59,63-79,86,145,173H,18-24,29-53,109-110H2,1-11H3,(H2,111,147)(H2,112,148)(H2,113,149)(H2,114,150)(H2,115,154)(H,125,156)(H,126,171)(H,127,146)(H,128,151)(H,129,162)(H,130,157)(H,131,170)(H,132,164)(H,133,168)(H,134,158)(H,135,172)(H,136,165)(H,137,159)(H,138,160)(H,139,163)(H,140,166)(H,141,161)(H,142,169)(H,143,167)(H,144,155)(H,152,153)(H4,116,117,122)(H4,118,119,123)(H4,120,121,124)/t58-,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,86-/m0/s1
    MOLECULAR FORMULA
    C108H180N36O28S
    CROSS REFERENCES
    2205764 logo

    canSAR2205764

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2461.35
    AlogP -11.38
    HBond donors 48
    HBond acceptors 64
    Atoms 353
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2205764.