canSAR935404
FEATURES
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NAMES
    SMILES
    CCCCNC(=O)CCCNC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC
    InChI
    InChI=1S/C47H85N3O15/c1-16-18-21-48-34(51)20-19-22-49-44(56)65-41-31(8)61-35(25-46(41,10)59-15)63-38-29(6)40(64-43-37(53)32(50(12)13)23-27(4)60-43)45(9,58-14)24-26(3)36(52)28(5)39(54)47(11,57)33(17-2)62-42(55)30(38)7/h26-33,35,37-41,43,53-54,57H,16-25H2,1-15H3,(H,48,51)(H,49,56)/t26-,27-,28+,29+,30-,31+,32+,33-,35+,37-,38+,39-,40-,41+,43+,45-,46-,47-/m1/s1
    MOLECULAR FORMULA
    C47H85N3O15
    CROSS REFERENCES
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    canSAR935404
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight931.60
    AlogP3.87
    HBond donors5
    HBond acceptors18
    Atoms150
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR935404.