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canSAR828045
FEATURES
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NAMES
    SMILES
    C=CCNC(=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)(O)C[C@@H](C)CN(C)[C@H](C)[C@H]3OC(=O)O[C@]3(C)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC
    InChI
    InChI=1S/C43H75N3O14/c1-16-18-44-39(49)58-36-28(8)54-31(21-42(36,10)52-15)56-33-25(5)34(57-38-32(47)29(45(12)13)19-24(4)53-38)41(9,51)20-23(3)22-46(14)27(7)35-43(11,60-40(50)59-35)30(17-2)55-37(48)26(33)6/h16,23-36,38,47,51H,1,17-22H2,2-15H3,(H,44,49)/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,36+,38+,41+,42-,43-/m1/s1
    MOLECULAR FORMULA
    C43H75N3O14
    CROSS REFERENCES
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    canSAR828045

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 857.52
    AlogP 4.00
    HBond donors 3
    HBond acceptors 17
    Atoms 135
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR828045.