canSAR823769
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
    InChI
    InChI=1S/C46H67N13O9/c1-3-4-13-33(52-27(2)60)41(63)57-37-24-39(61)50-19-10-8-15-32(40(48)62)54-42(64)35(22-29-21-28-12-5-6-14-31(28)53-29)58-45(67)38-17-11-20-59(38)46(68)34(16-7-9-18-47)55-43(65)36(56-44(37)66)23-30-25-49-26-51-30/h5-6,12,14,21,25-26,32-38,53H,3-4,7-11,13,15-20,22-24,47H2,1-2H3,(H2,48,62)(H,49,51)(H,50,61)(H,52,60)(H,54,64)(H,55,65)(H,56,66)(H,57,63)(H,58,67)/t32-,33-,34+,35-,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C46H67N13O9
    CROSS REFERENCES
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    canSAR823769
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight945.52
    AlogP-0.91
    HBond donors13
    HBond acceptors22
    Atoms135
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823769.