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canSAR837625
FEATURES
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NAMES
    SMILES
    C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CNC(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@@H](O)[C@@H]2CNC(N)N2)NC(=O)[C@@H](Cc2ccc(O[C@H]3O[C@H](COC(=O)CCC4CCCC4)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)cc2)NC1=O
    InChI
    InChI=1S/C62H94N12O26/c1-25(28-9-3-2-4-10-28)39-55(92)68-30(17-27-11-14-29(15-12-27)96-59-51(89)48(86)52(100-60-50(88)47(85)45(83)35(23-77)98-60)36(99-59)24-95-38(79)16-13-26-7-5-6-8-26)54(91)72-40(42(80)31-18-66-61(63)70-31)57(94)73-41(56(93)69-32(21-75)53(90)65-20-37(78)71-39)43(81)33-19-67-62(64)74(33)58-49(87)46(84)44(82)34(22-76)97-58/h2-4,9-12,14-15,25-26,30-36,39-52,58-62,66-67,70,75-77,80-89H,5-8,13,16-24,63-64H2,1H3,(H,65,90)(H,68,92)(H,69,93)(H,71,78)(H,72,91)(H,73,94)/t25-,30+,31-,32-,33-,34+,35+,36+,39-,40-,41+,42-,43-,44+,45+,46-,47-,48+,49-,50-,51-,52+,58-,59-,60+,61?,62?/m0/s1
    MOLECULAR FORMULA
    C62H94N12O26
    CROSS REFERENCES
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    canSAR837625

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1422.64
    AlogP -12.06
    HBond donors 26
    HBond acceptors 38
    Atoms 194
    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 canSAR837625.