canSAR948974
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O
    InChI
    InChI=1S/C46H59N13O9/c1-25(60)54-37-23-39(62)51-17-7-6-13-32(40(48)63)55-44(67)36(22-38(47)61)59-42(65)34(20-26-15-16-27-9-2-3-10-28(27)19-26)57-43(66)35(21-29-24-53-31-12-5-4-11-30(29)31)58-41(64)33(56-45(37)68)14-8-18-52-46(49)50/h2-5,9-12,15-16,19,24,32-37,53H,6-8,13-14,17-18,20-23H2,1H3,(H2,47,61)(H2,48,63)(H,51,62)(H,54,60)(H,55,67)(H,56,68)(H,57,66)(H,58,64)(H,59,65)(H4,49,50,52)/t32-,33-,34-,35-,36+,37-/m0/s1
    MOLECULAR FORMULA
    C46H59N13O9
    CROSS REFERENCES
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    canSAR948974
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight937.46
    AlogP-1.65
    HBond donors16
    HBond acceptors22
    Atoms127
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR948974.