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canSAR1517082
FEATURES
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NAMES
    SMILES
    CC(=O)c1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C18H21N5O2.C2H2O4/c1-14(24)15-3-5-16(6-4-15)21-17(25)13-22-9-11-23(12-10-22)18-19-7-2-8-20-18;3-1(4)2(5)6/h2-8H,9-13H2,1H3,(H,21,25);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C20H23N5O6
    CROSS REFERENCES
    1517082 logo

    canSAR1517082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.16
    AlogP 0.60
    HBond donors 3
    HBond acceptors 11
    Atoms 54
    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 canSAR1517082.