canSAR824279
FEATURES
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NAMES
    SMILES
    CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N2C[C@@H](C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N3Cc4ccccc4C[C@H]3C(=O)N3C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N4Cc5ccccc5C[C@H]4C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C4CCCCC43)C3CCCCC32)C2CCCCC21
    InChI
    InChI=1S/C125H170N24O19/c1-77(150)132-66-108(151)138-99(60-78-32-4-2-5-33-78)121(164)145-72-86-42-14-10-38-82(86)64-106(145)124(167)148-76-92(89-45-18-20-53-102(89)148)114(157)134-68-110(153)137-98(51-26-31-59-130)120(163)144-71-85-41-13-9-37-81(85)63-105(144)123(166)147-74-93(90-46-16-19-52-101(90)147)115(158)135-69-111(154)139-100(61-79-34-6-3-7-35-79)122(165)146-73-87-43-15-11-39-83(87)65-107(146)125(168)149-75-91(88-44-17-21-54-103(88)149)113(156)133-67-109(152)136-97(50-25-30-58-129)119(162)143-70-84-40-12-8-36-80(84)62-104(143)118(161)142-96(49-24-29-57-128)117(160)141-95(48-23-28-56-127)116(159)140-94(112(131)155)47-22-27-55-126/h2-15,32-43,88-107H,16-31,44-76,126-130H2,1H3,(H2,131,155)(H,132,150)(H,133,156)(H,134,157)(H,135,158)(H,136,152)(H,137,153)(H,138,151)(H,139,154)(H,140,159)(H,141,160)(H,142,161)/t88?,89?,90?,91-,92-,93-,94+,95+,96+,97+,98+,99+,100+,101?,102?,103?,104+,105+,106+,107+/m1/s1
    MOLECULAR FORMULA
    C125H170N24O19
    CROSS REFERENCES
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    canSAR824279
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2311.31
    AlogP2.35
    HBond donors23
    HBond acceptors43
    Atoms338
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824279.