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canSAR931591
FEATURES
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NAMES
    SMILES
    C/C=C1/NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)CC(O)CCCCCCCCCCC)COC(=O)[C@H](C(O)CCl)NC(=O)[C@H]([C@H](O)C(=O)NC(Cc2ccccc2)C(=O)OC)NC1=O
    InChI
    InChI=1S/C61H98ClN13O20/c1-5-7-8-9-10-11-12-13-17-22-36(77)30-45(79)66-43-33-95-61(93)48(44(78)32-62)74-58(90)49(50(82)59(91)72-42(60(92)94-4)29-35-20-15-14-16-21-35)75-51(83)37(6-2)67-57(89)47(34(3)76)73-54(86)40(25-28-65)69-52(84)38(23-18-19-26-63)68-55(87)41(31-46(80)81)71-53(85)39(24-27-64)70-56(43)88/h6,14-16,20-21,34,36,38-44,47-50,76-78,82H,5,7-13,17-19,22-33,63-65H2,1-4H3,(H,66,79)(H,67,89)(H,68,87)(H,69,84)(H,70,88)(H,71,85)(H,72,91)(H,73,86)(H,74,90)(H,75,83)(H,80,81)/b37-6+/t34?,36?,38-,39+,40-,41-,42?,43-,44?,47-,48-,49-,50-/m0/s1
    MOLECULAR FORMULA
    C61H98ClN13O20
    CROSS REFERENCES
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    canSAR931591

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1367.67
    AlogP -4.34
    HBond donors 21
    HBond acceptors 33
    Atoms 193
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR931591.