canSAR821369
FEATURES
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NAMES
    SMILES
    CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCCCC(N)C(=O)NCCCCC(NC(C)=O)C(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NC(CCCCNC(C)=O)C(N)=O)cc3)nc2n(CCC)c1=O
    InChI
    InChI=1S/C111H189N25O37/c1-5-51-135-107-104(110(157)136(52-6-2)111(135)158)133-106(134-107)84-16-18-85(19-17-84)173-81-103(153)115-35-10-7-13-86(112)108(155)129-36-12-9-15-88(131-83(4)138)109(156)130-50-66-172-80-79-171-64-48-127-100(150)31-30-99(149)125-46-62-168-76-75-167-60-44-123-96(146)27-26-95(145)121-42-58-164-72-71-163-56-40-119-92(142)23-22-91(141)117-38-54-160-68-67-159-53-37-116-89(139)20-21-90(140)118-39-55-161-69-70-162-57-41-120-93(143)24-25-94(144)122-43-59-165-73-74-166-61-45-124-97(147)28-29-98(148)126-47-63-169-77-78-170-65-49-128-101(151)32-33-102(152)132-87(105(113)154)14-8-11-34-114-82(3)137/h16-19,86-88H,5-15,20-81,112H2,1-4H3,(H2,113,154)(H,114,137)(H,115,153)(H,116,139)(H,117,141)(H,118,140)(H,119,142)(H,120,143)(H,121,145)(H,122,144)(H,123,146)(H,124,147)(H,125,149)(H,126,148)(H,127,150)(H,128,151)(H,129,155)(H,130,156)(H,131,138)(H,132,152)(H,133,134)
    MOLECULAR FORMULA
    C111H189N25O37
    CROSS REFERENCES
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    canSAR821369
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2464.37
    AlogP-6.25
    HBond donors24
    HBond acceptors62
    Atoms362
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR821369.