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canSAR833211
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](N(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(O)C[C@@H](C)N(C)C[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C55H87N3O13/c1-17-43-55(10,63)48(59)31(2)29-58(15)32(3)27-53(8,62)49(34(5)45(35(6)50(60)68-43)69-44-28-54(9,64-16)47(57(13)14)36(7)67-44)71-51-46(42(56(11)12)26-33(4)66-51)70-52(61)65-30-41-39-24-20-18-22-37(39)38-23-19-21-25-40(38)41/h18-25,31-36,41-49,51,59,62-63H,17,26-30H2,1-16H3/t31-,32+,33+,34-,35+,36-,42-,43+,44-,45-,46+,47-,48+,49+,51-,53+,54+,55+/m0/s1
    MOLECULAR FORMULA
    C55H87N3O13
    CROSS REFERENCES
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    canSAR833211

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 997.62
    AlogP 6.44
    HBond donors 3
    HBond acceptors 16
    Atoms 158
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR833211.