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canSAR833298
FEATURES
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NAMES
    SMILES
    CC(C)C/C=C/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CNC(=O)[C@H](c2ccc(O)c(Cl)c2)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](c2ccc(O)cc2)NC1=O
    InChI
    InChI=1S/C105H132ClN21O27/c1-53(2)17-11-9-14-22-80(137)114-76(50-79(109)136)96(145)119-77-51-110-99(148)89(65-33-44-78(135)71(106)49-65)123-91(140)56(6)113-94(143)74(47-54(3)4)115-81(138)52-111-98(147)84(60-23-34-66(130)35-24-60)126-101(150)83(58(8)129)121-103(152)87(63-29-40-69(133)41-30-63)124-93(142)73(21-16-46-108)116-95(144)75(48-59-18-12-10-13-19-59)118-100(149)82(57(7)128)120-104(153)88(64-31-42-70(134)43-32-64)127-105(154)86(62-27-38-68(132)39-28-62)122-90(139)55(5)112-92(141)72(20-15-45-107)117-102(151)85(125-97(77)146)61-25-36-67(131)37-26-61/h9-14,18-19,22-44,49,53-58,72-77,82-89,128-135H,15-17,20-21,45-48,50-52,107-108H2,1-8H3,(H2,109,136)(H,110,148)(H,111,147)(H,112,141)(H,113,143)(H,114,137)(H,115,138)(H,116,144)(H,117,151)(H,118,149)(H,119,145)(H,120,153)(H,121,152)(H,122,139)(H,123,140)(H,124,142)(H,125,146)(H,126,150)(H,127,154)/b11-9+,22-14+/t55-,56-,57+,58-,72-,73-,74+,75+,76+,77+,82+,83-,84+,85-,86+,87+,88-,89+/m1/s1
    MOLECULAR FORMULA
    C105H132ClN21O27
    CROSS REFERENCES
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    canSAR833298

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2153.93
    AlogP -1.29
    HBond donors 32
    HBond acceptors 48
    Atoms 286
    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 canSAR833298.