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canSAR985761
FEATURES
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NAMES
    SMILES
    C/C=C1\NC(=O)[C@H]([C@H](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)C[C@@H](O)c2cccc(OCCCCCCCCCCC)c2)COC(=O)[C@@H]([C@H](O)CCl)NC(=O)[C@H]([C@H](O)C(=O)O)NC1=O
    InChI
    InChI=1S/C57H91ClN12O20/c1-4-6-7-8-9-10-11-12-15-25-89-33-18-16-17-32(26-33)40(72)28-42(74)62-39-30-90-57(88)45(41(73)29-58)69-55(85)46(47(77)56(86)87)70-48(78)34(5-2)63-54(84)44(31(3)71)68-51(81)37(21-24-61)65-49(79)35(19-13-14-22-59)64-52(82)38(27-43(75)76)67-50(80)36(20-23-60)66-53(39)83/h5,16-18,26,31,35-41,44-47,71-73,77H,4,6-15,19-25,27-30,59-61H2,1-3H3,(H,62,74)(H,63,84)(H,64,82)(H,65,79)(H,66,83)(H,67,80)(H,68,81)(H,69,85)(H,70,78)(H,75,76)(H,86,87)/b34-5-/t31-,35+,36+,37+,38+,39-,40+,41+,44-,45+,46-,47-/m0/s1
    MOLECULAR FORMULA
    C57H91ClN12O20
    CROSS REFERENCES
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    canSAR985761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1298.62
    AlogP -3.80
    HBond donors 21
    HBond acceptors 32
    Atoms 181
    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 canSAR985761.