canSAR2100357
FEATURES
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NAMES
    SMILES
    CC(O)=N[C@H](CCCNC(=N)N)C(O)=N[C@@H]1CC/C(O)=N\CCC[C@H](C(=N)O)/N=C(/O)[C@@H](Cc2c[nH]c3ccccc23)/N=C(/O)[C@@H](CCCNC(=N)N)/N=C(/O)[C@H](Cc2ccc(F)cc2)/N=C(/O)[C@H]2C[C@H](O)CN2C1=O
    InChI
    InChI=1S/C49H69FN16O10/c1-26(67)60-34(10-5-19-57-48(52)53)42(71)63-36-16-17-40(69)56-18-4-9-33(41(51)70)61-45(74)38(22-28-24-59-32-8-3-2-7-31(28)32)64-43(72)35(11-6-20-58-49(54)55)62-44(73)37(21-27-12-14-29(50)15-13-27)65-46(75)39-23-30(68)25-66(39)47(36)76/h2-3,7-8,12-15,24,30,33-39,59,68H,4-6,9-11,16-23,25H2,1H3,(H2,51,70)(H,56,69)(H,60,67)(H,61,74)(H,62,73)(H,63,71)(H,64,72)(H,65,75)(H4,52,53,57)(H4,54,55,58)/t30-,33+,34+,35+,36+,37-,38+,39+/m0/s1
    MOLECULAR FORMULA
    C49H69FN16O10
    CROSS REFERENCES
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    canSAR2100357
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1060.54
    AlogP3.62
    HBond donors19
    HBond acceptors26
    Atoms145
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100357.