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canSAR1132966
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
    InChI
    InChI=1S/C110H165N31O34/c1-2-3-14-65(125-101(167)68-17-7-28-128(68)85(151)45-119-96(162)78-37-60(144)53-137(78)106(172)73-22-11-32-132(73)89(155)49-123-99(165)80-39-62(146)55-139(80)107(173)72-21-10-31-131(72)87(153)46-120-95(161)76-35-58(142)51-135(76)103(169)67-16-5-25-114-67)92(158)117-43-84(150)127-27-6-18-69(127)102(168)126-66(15-4-26-115-110(112)113)93(159)118-44-86(152)129-29-8-19-70(129)105(171)138-54-61(145)38-79(138)97(163)122-48-90(156)133-33-12-23-74(133)109(175)141-57-64(148)41-82(141)100(166)124-50-91(157)134-34-13-24-75(134)108(174)140-56-63(147)40-81(140)98(164)121-47-88(154)130-30-9-20-71(130)104(170)136-52-59(143)36-77(136)94(160)116-42-83(111)149/h58-82,114,142-148H,2-57H2,1H3,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,162)(H,120,161)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H,126,168)(H4,112,113,115)/t58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1
    MOLECULAR FORMULA
    C110H165N31O34
    CROSS REFERENCES
    1132966 logo

    canSAR1132966

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2464.21
    AlogP -16.65
    HBond donors 25
    HBond acceptors 65
    Atoms 340
    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 canSAR1132966.