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canSAR1990549
FEATURES
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NAMES
    SMILES
    O=C(CCc1ncc[nH]1)NC(c1ccccc1)C1CCCCC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C19H25N3O.C2H2O4/c23-18(12-11-17-20-13-14-21-17)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16;3-1(4)2(5)6/h1,3-4,7-8,13-14,16,19H,2,5-6,9-12H2,(H,20,21)(H,22,23);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C21H27N3O5
    CROSS REFERENCES
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    canSAR1990549

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.20
    AlogP 2.94
    HBond donors 4
    HBond acceptors 8
    Atoms 56
    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 canSAR1990549.