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canSAR1127394
FEATURES
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NAMES
    SMILES
    CC(C)=CCC[C@@H](C(=O)O)[C@@H]1CN(CC(O)CCO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(=N)N1
    InChI
    InChI=1S/C20H35N3O8/c1-11(2)4-3-5-13(18(28)29)14-9-23(20(21)22-14)8-12(24)6-7-30-19-17(27)16(26)15(25)10-31-19/h4,12-17,19,24-27H,3,5-10H2,1-2H3,(H2,21,22)(H,28,29)/t12?,13-,14+,15-,16+,17-,19+/m1/s1
    MOLECULAR FORMULA
    C20H35N3O8
    CROSS REFERENCES
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    canSAR1127394

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.24
    AlogP -1.15
    HBond donors 7
    HBond acceptors 11
    Atoms 66
    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 canSAR1127394.