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canSAR2052841
FEATURES
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NAMES
    SMILES
    O=C(CCC(CCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)NC(=O)c1cc(C(=O)NC(CCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)(CCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)CCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc(C(=O)NC(CCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)(CCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)CCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C138H141N21O30/c160-115(148-106(127(172)173)58-79-67-139-97-28-10-1-19-88(79)97)37-46-136(47-38-116(161)149-107(128(174)175)59-80-68-140-98-29-11-2-20-89(80)98,48-39-117(162)150-108(129(176)177)60-81-69-141-99-30-12-3-21-90(81)99)157-124(169)76-55-77(125(170)158-137(49-40-118(163)151-109(130(178)179)61-82-70-142-100-31-13-4-22-91(82)100,50-41-119(164)152-110(131(180)181)62-83-71-143-101-32-14-5-23-92(83)101)51-42-120(165)153-111(132(182)183)63-84-72-144-102-33-15-6-24-93(84)102)57-78(56-76)126(171)159-138(52-43-121(166)154-112(133(184)185)64-85-73-145-103-34-16-7-25-94(85)103,53-44-122(167)155-113(134(186)187)65-86-74-146-104-35-17-8-26-95(86)104)54-45-123(168)156-114(135(188)189)66-87-75-147-105-36-18-9-27-96(87)105/h1-36,55-57,67-75,106-114,139-147H,37-54,58-66H2,(H,148,160)(H,149,161)(H,150,162)(H,151,163)(H,152,164)(H,153,165)(H,154,166)(H,155,167)(H,156,168)(H,157,169)(H,158,170)(H,159,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)/t106-,107-,108-,109-,110-,111?,112-,113-,114?/m0/s1
    MOLECULAR FORMULA
    C138H141N21O30
    CROSS REFERENCES
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    canSAR2052841

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2572.02
    AlogP 12.75
    HBond donors 30
    HBond acceptors 51
    Atoms 330
    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 canSAR2052841.