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canSAR1618706
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NAMES
    SMILES
    COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)CC(F)(F)C1
    InChI
    InChI=1S/C28H25F3N6O2/c1-39-24-4-2-3-22(29)21(24)15-36-14-19(12-28(30,31)16-36)33-27(38)17-5-7-23-20(11-17)26(35-34-23)18-6-8-25-32-9-10-37(25)13-18/h2-11,13,19H,12,14-16H2,1H3,(H,33,38)(H,34,35)/t19-/m1/s1
    MOLECULAR FORMULA
    C28H25F3N6O2
    CROSS REFERENCES
    1618706 logo

    canSAR1618706

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.20
    AlogP 4.66
    HBond donors 2
    HBond acceptors 8
    Atoms 64
    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 canSAR1618706.