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canSAR829677
FEATURES
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NAMES
    SMILES
    C=CCCC(=O)O[C@@H]1[C@@H](C)C(=O)[C@H](C)C[C@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@]1(C)O
    InChI
    InChI=1S/C42H73NO14/c1-15-17-18-30(44)55-37-24(5)32(45)22(3)20-40(9,49)36(57-39-33(46)28(43(12)13)19-23(4)52-39)25(6)34(26(7)38(48)54-29(16-2)42(37,11)50)56-31-21-41(10,51-14)35(47)27(8)53-31/h15,22-29,31,33-37,39,46-47,49-50H,1,16-21H2,2-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,31+,33-,34+,35+,36-,37-,39+,40+,41-,42+/m1/s1
    MOLECULAR FORMULA
    C42H73NO14
    CROSS REFERENCES
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    canSAR829677

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 815.50
    AlogP 3.30
    HBond donors 4
    HBond acceptors 15
    Atoms 130
    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 canSAR829677.