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canSAR347490
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NAMES
    SMILES
    S=C(NCCCn1ccnc1)C1(c2ccc(Cl)cc2)CCC1
    InChI
    InChI=1S/C17H20ClN3S/c18-15-5-3-14(4-6-15)17(7-1-8-17)16(22)20-9-2-11-21-12-10-19-13-21/h3-6,10,12-13H,1-2,7-9,11H2,(H,20,22)
    MOLECULAR FORMULA
    C17H20ClN3S
    CROSS REFERENCES
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    canSAR347490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 333.11
    AlogP 3.97
    HBond donors 1
    HBond acceptors 3
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR347490.