canSAR823659
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCCN2C1=O
    InChI
    InChI=1S/C65H101N13O18S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-23-31-97(95,96)76-47(32-42-35-66-44-26-20-19-25-43(42)44)60(89)73-48-36-67-61(90)50-28-24-30-78(50)65(94)56(40(3)6-2)75-63(92)57(41(4)79)74-53(82)39-69-59(88)46(34-55(85)86)71-51(80)37-68-58(87)45(33-54(83)84)72-52(81)38-70-62(91)49-27-21-22-29-77(49)64(48)93/h19-20,25-26,35,40-41,45-50,56-57,66,76,79H,5-18,21-24,27-34,36-39H2,1-4H3,(H,67,90)(H,68,87)(H,69,88)(H,70,91)(H,71,80)(H,72,81)(H,73,89)(H,74,82)(H,75,92)(H,83,84)(H,85,86)/t40-,41-,45+,46+,47+,48+,49+,50+,56+,57+/m1/s1
    MOLECULAR FORMULA
    C65H101N13O18S
    CROSS REFERENCES
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    canSAR823659
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1383.71
    AlogP0.13
    HBond donors14
    HBond acceptors31
    Atoms198
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823659.