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canSAR1592890
FEATURES
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NAMES
    SMILES
    O=C(COC(=O)c1cccc([N+](=O)[O-])c1Cl)NC1C2CC3CC(C2)CC1C3
    InChI
    InChI=1S/C19H21ClN2O5/c20-17-14(2-1-3-15(17)22(25)26)19(24)27-9-16(23)21-18-12-5-10-4-11(7-12)8-13(18)6-10/h1-3,10-13,18H,4-9H2,(H,21,23)
    MOLECULAR FORMULA
    C19H21ClN2O5
    CROSS REFERENCES
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    canSAR1592890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.11
    AlogP 3.35
    HBond donors 1
    HBond acceptors 7
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1592890.