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canSAR1723628
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NAMES
    SMILES
    N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1
    InChI
    InChI=1S/C17H18ClN5O2/c18-11-1-3-12(4-2-11)21-17-14(16(20)25)9-23(22-17)15-6-5-13(24)7-10(15)8-19/h1-4,9-10,13,15,24H,5-7H2,(H2,20,25)(H,21,22)/t10-,13+,15+/m1/s1
    MOLECULAR FORMULA
    C17H18ClN5O2
    CROSS REFERENCES
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    canSAR1723628

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.11
    AlogP 2.60
    HBond donors 4
    HBond acceptors 7
    Atoms 43
    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 canSAR1723628.