canSAR1417667
FEATURES
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NAMES
    SMILES
    C[C@H]1C(=O)N[C@H](C)C(=O)N2C[C@H](C)C[C@H]2C(=O)OC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/C=C/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)C(=O)N2CCC[C@H]2C(=O)N1C
    InChI
    InChI=1S/C47H57N7O11/c1-29-25-36-47(64)65-28-34(45(62)53-24-16-19-35(53)46(63)52(4)31(3)42(59)48-30(2)44(61)54(36)27-29)50-43(60)33(26-32-17-12-11-13-18-32)49-39(57)20-14-9-7-5-6-8-10-15-21-40(58)51-41-37(55)22-23-38(41)56/h5-15,17-18,20-21,29-31,33-36,55H,16,19,22-28H2,1-4H3,(H,48,59)(H,49,57)(H,50,60)(H,51,58)/b6-5+,9-7+,10-8+,20-14+,21-15+/t29-,30-,31+,33+,34+,35+,36+/m1/s1
    MOLECULAR FORMULA
    C47H57N7O11
    CROSS REFERENCES
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    canSAR1417667
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight895.41
    AlogP1.36
    HBond donors5
    HBond acceptors18
    Atoms122
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417667.