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canSAR778953
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O
    InChI
    InChI=1S/C104H184N26O24/c1-22-60(15)84(129-94(143)69(32-24-28-40-105)117-82(133)53-112-91(140)73(44-54(3)4)124-99(148)77(48-58(11)12)125-100(149)78(50-67-36-38-68(131)39-37-67)118-83(134)52-111-86(135)62(17)109)102(151)127-79(51-81(110)132)101(150)126-76(47-57(9)10)98(147)121-70(33-25-29-41-106)92(141)114-66(21)90(139)123-74(45-55(5)6)96(145)115-63(18)87(136)113-64(19)89(138)122-75(46-56(7)8)97(146)116-65(20)88(137)119-71(34-26-30-42-107)93(142)120-72(35-27-31-43-108)95(144)130-85(61(16)23-2)103(152)128-80(104(153)154)49-59(13)14/h36-39,54-66,69-80,84-85,131H,22-35,40-53,105-109H2,1-21H3,(H2,110,132)(H,111,135)(H,112,140)(H,113,136)(H,114,141)(H,115,145)(H,116,146)(H,117,133)(H,118,134)(H,119,137)(H,120,142)(H,121,147)(H,122,138)(H,123,139)(H,124,148)(H,125,149)(H,126,150)(H,127,151)(H,128,152)(H,129,143)(H,130,144)(H,153,154)/t60-,61-,62-,63-,64-,65-,66-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,84-,85-/m0/s1
    MOLECULAR FORMULA
    C104H184N26O24
    CROSS REFERENCES
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    canSAR778953

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2181.40
    AlogP -2.83
    HBond donors 34
    HBond acceptors 50
    Atoms 338
    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 canSAR778953.