canSAR823978
FEATURES
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C\C[C@@]12c3ccccc3N[C@@H]1N(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CN)C[C@@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
    InChI
    InChI=1S/C45H60N8O10/c1-26(2)11-10-12-27(3)21-22-45-30-15-8-9-16-32(30)52-44(45)53(42(61)35(23-29-13-6-5-7-14-29)51-39(58)28(4)48-37(55)24-46)25-31(45)40(59)49-33(18-20-38(56)57)41(60)50-34(43(62)63)17-19-36(47)54/h5-9,11,13-16,21,28,31,33-35,44,52H,10,12,17-20,22-25,46H2,1-4H3,(H2,47,54)(H,48,55)(H,49,59)(H,50,60)(H,51,58)(H,56,57)(H,62,63)/b27-21-/t28-,31+,33-,34-,35-,44+,45-/m0/s1
    MOLECULAR FORMULA
    C45H60N8O10
    CROSS REFERENCES
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    canSAR823978
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight872.44
    AlogP1.59
    HBond donors11
    HBond acceptors18
    Atoms123
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823978.