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canSAR781738
FEATURES
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NAMES
    SMILES
    CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)N2C[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3C[C@@H](C(=O)N4C[C@@H](C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)N5C[C@@H](C(=O)N6C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N7Cc8ccccc8C[C@H]7C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C7CCCCC76)C6CCCCC65)C5CCCCC54)C4CCCCC43)C3CCCCC32)C2CCCCC21
    InChI
    InChI=1S/C128H194N26O20/c1-78(155)136-67-110(156)142-101(64-79-34-4-2-5-35-79)127(173)153-76-93(87-44-14-20-56-107(87)153)123(169)150-73-90(84-41-11-18-54-105(84)150)116(162)138-69-112(158)141-100(51-27-33-63-134)126(172)152-75-92(86-43-13-19-55-106(86)152)122(168)149-74-91(85-42-12-16-52-103(85)149)117(163)139-70-113(159)143-102(65-80-36-6-3-7-37-80)128(174)154-77-94(88-45-15-21-57-108(88)154)124(170)151-72-89(83-40-10-17-53-104(83)151)115(161)137-68-111(157)140-99(50-26-32-62-133)125(171)148-71-82-39-9-8-38-81(82)66-109(148)121(167)147-98(49-25-31-61-132)120(166)146-97(48-24-30-60-131)119(165)145-96(47-23-29-59-130)118(164)144-95(114(135)160)46-22-28-58-129/h2-9,34-39,83-109H,10-33,40-77,129-134H2,1H3,(H2,135,160)(H,136,155)(H,137,161)(H,138,162)(H,139,163)(H,140,157)(H,141,158)(H,142,156)(H,143,159)(H,144,164)(H,145,165)(H,146,166)(H,147,167)/t83?,84?,85?,86?,87?,88?,89-,90+,91-,92-,93-,94-,95+,96+,97+,98+,99+,100+,101+,102+,103?,104?,105?,106?,107?,108?,109+/m1/s1
    MOLECULAR FORMULA
    C128H194N26O20
    CROSS REFERENCES
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    canSAR781738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2415.50
    AlogP 2.15
    HBond donors 26
    HBond acceptors 46
    Atoms 368
    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 canSAR781738.