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canSAR1005712
FEATURES
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NAMES
    SMILES
    COc1cccc(CN(C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)C2CC2)c1
    InChI
    InChI=1S/C22H21N5O2/c1-29-18-4-2-3-14(9-18)13-27(17-6-7-17)22(28)20-10-15-5-8-19(25-21(15)26-20)16-11-23-24-12-16/h2-5,8-12,17H,6-7,13H2,1H3,(H,23,24)(H,25,26)
    MOLECULAR FORMULA
    C22H21N5O2
    CROSS REFERENCES
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    canSAR1005712

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.17
    AlogP 3.77
    HBond donors 2
    HBond acceptors 7
    Atoms 50
    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 canSAR1005712.