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canSAR1647194
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NAMES
    SMILES
    CCOc1c(-c2[nH]nc3ccc(C(C)=CC(=O)O)cc23)cc(C(C)C)cc1C(C)C
    InChI
    InChI=1S/C25H30N2O3/c1-7-30-25-19(15(4)5)12-18(14(2)3)13-21(25)24-20-11-17(16(6)10-23(28)29)8-9-22(20)26-27-24/h8-15H,7H2,1-6H3,(H,26,27)(H,28,29)
    MOLECULAR FORMULA
    C25H30N2O3
    CROSS REFERENCES
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    canSAR1647194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.23
    AlogP 6.36
    HBond donors 2
    HBond acceptors 5
    Atoms 60
    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 canSAR1647194.