canSAR2093789
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
    InChI
    InChI=1S/C46H63FN14O7/c1-27(2)24-35(40(64)58-33(10-6-22-54-44(48)49)39(63)59-34(43(67)68)11-7-23-55-45(50)51)60-42(66)37(26-30-14-19-32(20-15-30)56-46(52)53)61-41(65)36(25-29-12-17-31(47)18-13-29)57-38(62)21-16-28-8-4-3-5-9-28/h3-5,8-9,12-21,27,33-37H,6-7,10-11,22-26H2,1-2H3,(H,57,62)(H,58,64)(H,59,63)(H,60,66)(H,61,65)(H,67,68)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/b21-16+/t33-,34-,35-,36-,37-/m0/s1
    MOLECULAR FORMULA
    C46H63FN14O7
    CROSS REFERENCES
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    canSAR2093789
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight942.50
    AlogP0.71
    HBond donors18
    HBond acceptors21
    Atoms131
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2093789.