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canSAR1638209
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NAMES
    SMILES
    Cc1ccccc1N=C(S)NCc1ccc2[nH]c3c(c2c1)CCCC3
    InChI
    InChI=1S/C21H23N3S/c1-14-6-2-4-8-18(14)24-21(25)22-13-15-10-11-20-17(12-15)16-7-3-5-9-19(16)23-20/h2,4,6,8,10-12,23H,3,5,7,9,13H2,1H3,(H2,22,24,25)
    MOLECULAR FORMULA
    C21H23N3S
    CROSS REFERENCES
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    canSAR1638209

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.16
    AlogP 5.06
    HBond donors 2
    HBond acceptors 3
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1638209.