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canSAR1717729
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NAMES
    SMILES
    O=C(O)c1ccnc(-c2cn([C@@H]3CCCN(C(=O)c4ccccc4)C3)nn2)c1
    InChI
    InChI=1S/C20H19N5O3/c26-19(14-5-2-1-3-6-14)24-10-4-7-16(12-24)25-13-18(22-23-25)17-11-15(20(27)28)8-9-21-17/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H,27,28)/t16-/m1/s1
    MOLECULAR FORMULA
    C20H19N5O3
    CROSS REFERENCES
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    canSAR1717729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.15
    AlogP 2.52
    HBond donors 1
    HBond acceptors 8
    Atoms 47
    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 canSAR1717729.