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canSAR2016808
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NAMES
    SMILES
    COc1cc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc(SCc4ccccc4)nn32)cc(OC)c1OC
    InChI
    InChI=1S/C31H33N5O4S/c1-18-12-13-23(19(2)14-18)33-29(37)26-20(3)32-30-34-31(41-17-21-10-8-7-9-11-21)35-36(30)27(26)22-15-24(38-4)28(40-6)25(16-22)39-5/h7-16,27H,17H2,1-6H3,(H,33,37)(H,32,34,35)
    MOLECULAR FORMULA
    C31H33N5O4S
    CROSS REFERENCES
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    canSAR2016808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.23
    AlogP 6.14
    HBond donors 2
    HBond acceptors 9
    Atoms 74
    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 canSAR2016808.