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canSAR1769282
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NAMES
    SMILES
    CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1
    InChI
    InChI=1S/C18H21ClN6O2S/c1-28(26,27)25-12-6-4-11(5-7-12)22-16-9-15(19)23-18(24-16)14-10-21-17-13(14)3-2-8-20-17/h2-3,8-12,25H,4-7H2,1H3,(H,20,21)(H,22,23,24)
    MOLECULAR FORMULA
    C18H21ClN6O2S
    CROSS REFERENCES
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    canSAR1769282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.11
    AlogP 2.95
    HBond donors 3
    HBond acceptors 8
    Atoms 49
    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 canSAR1769282.