canSAR2153714
FEATURES
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NAMES
    SMILES
    COc1ccnc(C#CCN(c2ccc3ncc(-c4cnn(C)c4)nc3c2)c2c(F)c(OC)cc(OC)c2F)n1
    InChI
    InChI=1S/C28H23F2N7O3/c1-36-16-17(14-33-36)21-15-32-19-8-7-18(12-20(19)34-21)37(11-5-6-24-31-10-9-25(35-24)40-4)28-26(29)22(38-2)13-23(39-3)27(28)30/h7-10,12-16H,11H2,1-4H3
    MOLECULAR FORMULA
    C28H23F2N7O3
    CROSS REFERENCES
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    canSAR2153714
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight543.18
    AlogP4.31
    HBond donors0
    HBond acceptors10
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2153714.