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canSAR1688415
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CNCC3CCCO3)cc12.O=C(O)C(=O)O
    InChI
    InChI=1S/C27H34N2O5.C2H2O4/c1-4-32-27(31)26-19(3)29(20-9-7-18(2)8-10-20)25-12-11-22(14-24(25)26)34-17-21(30)15-28-16-23-6-5-13-33-23;3-1(4)2(5)6/h7-12,14,21,23,28,30H,4-6,13,15-17H2,1-3H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C29H36N2O9
    CROSS REFERENCES
    1688415 logo

    canSAR1688415

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.24
    AlogP 3.09
    HBond donors 4
    HBond acceptors 11
    Atoms 76
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688415.