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canSAR1126672
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCCN1C(=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)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/C110H163N31O34/c111-83(149)42-116-94(160)77-36-59(143)52-136(77)104(170)71-19-8-30-129(71)88(154)47-121-98(164)81-40-63(147)56-140(81)108(174)75-23-12-34-133(75)91(157)50-124-100(166)82-41-64(148)57-141(82)109(175)74-22-11-33-132(74)89(155)48-122-97(163)79-38-60(144)53-137(79)105(171)70-18-7-29-128(70)85(151)43-117-92(158)65(13-3-25-115-110(112)113)125-101(167)68-16-5-27-126(68)84(150)44-118-93(159)67-15-1-2-26-134(67)103(169)69-17-6-28-127(69)86(152)45-120-96(162)78-37-61(145)54-138(78)107(173)73-21-10-32-131(73)90(156)49-123-99(165)80-39-62(146)55-139(80)106(172)72-20-9-31-130(72)87(153)46-119-95(161)76-35-58(142)51-135(76)102(168)66-14-4-24-114-66/h58-82,114,142-148H,1-57H2,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(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
    C110H163N31O34
    CROSS REFERENCES
    1126672 logo

    canSAR1126672

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2462.20
    AlogP -16.94
    HBond donors 24
    HBond acceptors 65
    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 canSAR1126672.