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canSAR1085641
FEATURES
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NAMES
    SMILES
    N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2cnc3ccccc3c2)CC1
    InChI
    InChI=1S/C23H25N5O2/c24-12-18-10-16-11-20(16)28(18)23(30)21(25)14-5-7-27(8-6-14)22(29)17-9-15-3-1-2-4-19(15)26-13-17/h1-4,9,13-14,16,18,20-21H,5-8,10-11,25H2/t16-,18+,20+,21+/m1/s1
    MOLECULAR FORMULA
    C23H25N5O2
    CROSS REFERENCES
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    canSAR1085641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.20
    AlogP 1.93
    HBond donors 2
    HBond acceptors 7
    Atoms 55
    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 canSAR1085641.