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canSAR1267095
FEATURES
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NAMES
    SMILES
    CC(=O)NCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCCC(=O)N[C@](C)(N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCCC(=O)N[C@](C)(N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@](C)(N)C(=O)N[C@](C)(N)C(=O)N[C@](C)(N)C(=O)N[C@](C)(N)C(N)=O
    InChI
    InChI=1S/C117H152F2N26O20/c1-65(146)127-48-44-90(147)131-84(52-66-36-40-79(118)41-37-66)101(155)139-58-72-26-12-9-23-69(72)55-87(139)103(157)143-62-76-30-17-20-34-82(76)95(143)100(154)130-51-47-93(150)134-117(7,126)111(165)142-61-75-29-15-11-25-71(75)57-89(142)105(159)145-64-78-32-18-21-35-83(78)96(145)98(152)128-49-45-91(148)132-85(53-67-38-42-80(119)43-39-67)102(156)140-59-73-27-13-10-24-70(73)56-88(140)104(158)144-63-77-31-16-19-33-81(77)94(144)99(153)129-50-46-92(149)133-116(6,125)110(164)141-60-74-28-14-8-22-68(74)54-86(141)97(151)135-113(3,122)107(161)137-115(5,124)109(163)138-114(4,123)108(162)136-112(2,121)106(120)160/h8-15,22-29,36-43,76-78,81-89,94-96H,16-21,30-35,44-64,121-126H2,1-7H3,(H2,120,160)(H,127,146)(H,128,152)(H,129,153)(H,130,154)(H,131,147)(H,132,148)(H,133,149)(H,134,150)(H,135,151)(H,136,162)(H,137,161)(H,138,163)/t76?,77?,78?,81?,82?,83?,84-,85-,86-,87-,88-,89-,94-,95-,96-,112-,113-,114-,115-,116-,117-/m0/s1
    MOLECULAR FORMULA
    C117H152F2N26O20
    CROSS REFERENCES
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    canSAR1267095

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2279.16
    AlogP -1.14
    HBond donors 26
    HBond acceptors 46
    Atoms 317
    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 canSAR1267095.