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canSAR1720221
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NAMES
    SMILES
    O=C(Cc1ccccc1)N[C@@H](Cn1cc(-c2cccc(C(=O)O)c2)nn1)B(O)O
    InChI
    InChI=1S/C19H19BN4O5/c25-18(9-13-5-2-1-3-6-13)21-17(20(28)29)12-24-11-16(22-23-24)14-7-4-8-15(10-14)19(26)27/h1-8,10-11,17,28-29H,9,12H2,(H,21,25)(H,26,27)/t17-/m0/s1
    MOLECULAR FORMULA
    C19H19BN4O5
    CROSS REFERENCES
    1720221 logo

    canSAR1720221

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.14
    AlogP 0.38
    HBond donors 4
    HBond acceptors 9
    Atoms 48
    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 canSAR1720221.