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canSAR1100980
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NAMES
    SMILES
    O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(-c3ccccc3)sc(-c3ccccc3)c21
    InChI
    InChI=1S/C29H25NO2S/c31-28-24-25(29(32-28)16-18-30(19-17-29)20-21-10-4-1-5-11-21)27(23-14-8-3-9-15-23)33-26(24)22-12-6-2-7-13-22/h1-15H,16-20H2
    MOLECULAR FORMULA
    C29H25NO2S
    CROSS REFERENCES
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    canSAR1100980

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.16
    AlogP 6.74
    HBond donors 0
    HBond acceptors 3
    Atoms 58
    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 canSAR1100980.