canSAR158673
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(N)=O
    InChI
    InChI=1S/C47H59N9O8/c1-26(2)18-36(42(49)59)52-44(61)37(19-27(3)4)54-47(64)40(22-30-25-51-35-17-11-9-15-32(30)35)56-45(62)38(20-28-12-6-5-7-13-28)55-46(63)39(53-43(60)33(48)23-41(57)58)21-29-24-50-34-16-10-8-14-31(29)34/h5-17,24-27,33,36-40,50-51H,18-23,48H2,1-4H3,(H2,49,59)(H,52,61)(H,53,60)(H,54,64)(H,55,63)(H,56,62)(H,57,58)/t33-,36-,37-,38-,39+,40+/m0/s1
    MOLECULAR FORMULA
    C47H59N9O8
    CROSS REFERENCES
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    canSAR158673
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight877.45
    AlogP2.48
    HBond donors12
    HBond acceptors17
    Atoms123
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR158673.