canSAR819696
FEATURES
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NAMES
    SMILES
    C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O
    InChI
    InChI=1S/C80H132N14O16/c1-18-48(14)64(76(105)93-67-51(17)110-80(109)63(47(12)13)89-68(97)54(20-3)82-71(100)57(42-53-33-25-22-26-34-53)85-73(102)61(45(8)9)87-75(104)65(49(15)19-2)91-78(67)107)90-69(98)55(35-28-40-81)83-72(101)58-36-29-41-94(58)79(108)62(46(10)11)88-70(99)56(39-38-52-31-23-21-24-32-52)84-77(106)66(50(16)95)92-74(103)60(44(6)7)86-59(96)37-27-30-43(4)5/h20,22,25-26,33-34,43-52,55-58,60-67,95H,18-19,21,23-24,27-32,35-42,81H2,1-17H3,(H,82,100)(H,83,101)(H,84,106)(H,85,102)(H,86,96)(H,87,104)(H,88,99)(H,89,97)(H,90,98)(H,91,107)(H,92,103)(H,93,105)/b54-20-/t48-,49-,50-,51+,55+,56+,57+,58-,60-,61-,62-,63+,64-,65-,66+,67-/m1/s1
    MOLECULAR FORMULA
    C80H132N14O16
    CROSS REFERENCES
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    canSAR819696
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1544.99
    AlogP3.54
    HBond donors15
    HBond acceptors30
    Atoms242
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819696.