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canSAR2095722
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NAMES
    SMILES
    O=C(/C=C/c1cn([C@@H]2C[C@@H](CO)N(CCCc3ccccc3)C2)nn1)NO
    InChI
    InChI=1S/C19H25N5O3/c25-14-18-11-17(24-12-16(20-22-24)8-9-19(26)21-27)13-23(18)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,17-18,25,27H,4,7,10-11,13-14H2,(H,21,26)/b9-8+/t17-,18+/m1/s1
    MOLECULAR FORMULA
    C19H25N5O3
    CROSS REFERENCES
    2095722 logo

    canSAR2095722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 371.20
    AlogP 1.04
    HBond donors 3
    HBond acceptors 8
    Atoms 52
    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 canSAR2095722.