canSAR822418
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)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)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/C113H163N31O34/c114-86(152)44-119-97(163)80-38-62(146)54-139(80)107(173)74-21-9-31-133(74)91(157)49-124-101(167)84-42-66(150)58-143(84)111(177)78-25-13-35-137(78)94(160)52-127-103(169)85-43-67(151)59-144(85)112(178)77-24-12-34-136(77)93(159)50-125-100(166)82-40-64(148)56-141(82)108(174)73-20-8-30-132(73)89(155)46-120-95(161)68(16-4-27-118-113(115)116)128-104(170)71-18-6-28-130(71)87(153)45-121-96(162)70(36-60-14-2-1-3-15-60)129-105(171)72-19-7-29-131(72)88(154)47-122-99(165)81-39-63(147)55-140(81)109(175)76-23-11-33-135(76)92(158)51-126-102(168)83-41-65(149)57-142(83)110(176)75-22-10-32-134(75)90(156)48-123-98(164)79-37-61(145)53-138(79)106(172)69-17-5-26-117-69/h1-3,14-15,61-85,117,145-151H,4-13,16-59H2,(H2,114,152)(H,119,163)(H,120,161)(H,121,162)(H,122,165)(H,123,164)(H,124,167)(H,125,166)(H,126,168)(H,127,169)(H,128,170)(H,129,171)(H4,115,116,118)/t61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+/m1/s1
    MOLECULAR FORMULA
    C113H163N31O34
    CROSS REFERENCES
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    canSAR822418
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2498.20
    AlogP-16.59
    HBond donors25
    HBond acceptors65
    Atoms341
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR822418.