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canSAR1112623
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NAMES
    SMILES
    O=c1[nH]c(-c2cccc(OCc3ccccc3)c2)nc2sc3c(c12)CCCC3
    InChI
    InChI=1S/C23H20N2O2S/c26-22-20-18-11-4-5-12-19(18)28-23(20)25-21(24-22)16-9-6-10-17(13-16)27-14-15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2,(H,24,25,26)
    MOLECULAR FORMULA
    C23H20N2O2S
    CROSS REFERENCES
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    canSAR1112623

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.12
    AlogP 5.11
    HBond donors 1
    HBond acceptors 4
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1112623.