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canSAR1833440
FEATURES
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NAMES
    SMILES
    Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@@H](CO)O3)no1
    InChI
    InChI=1S/C21H20N4O5/c1-12-7-18(24-30-12)21(2,28)6-5-13-3-4-17-15(8-13)20-23-16(19(22)27)10-25(20)9-14(11-26)29-17/h3-4,7-8,10,14,26,28H,9,11H2,1-2H3,(H2,22,27)/t14-,21-/m0/s1
    MOLECULAR FORMULA
    C21H20N4O5
    CROSS REFERENCES
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    canSAR1833440

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.14
    AlogP 0.96
    HBond donors 4
    HBond acceptors 9
    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 canSAR1833440.