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canSAR2088229
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NAMES
    SMILES
    Cc1nc2cccc3c2nc1NC[C@H](C)CC[C@H]1CNC(=O)c2cc-3[nH]c21
    InChI
    InChI=1S/C21H23N5O/c1-11-6-7-13-10-23-21(27)15-8-17(25-18(13)15)14-4-3-5-16-19(14)26-20(22-9-11)12(2)24-16/h3-5,8,11,13,25H,6-7,9-10H2,1-2H3,(H,22,26)(H,23,27)/t11-,13+/m1/s1
    MOLECULAR FORMULA
    C21H23N5O
    CROSS REFERENCES
    2088229 logo

    canSAR2088229

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.19
    AlogP 3.60
    HBond donors 3
    HBond acceptors 6
    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 canSAR2088229.