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canSAR1144363
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)Nc2nc3ccccc3s2)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1
    InChI
    InChI=1S/C30H27N5O3S2/c1-17(2)19-10-12-20(13-11-19)33-25(36)16-39-29-21(15-31)27(23-8-6-14-38-23)26(18(3)32-29)28(37)35-30-34-22-7-4-5-9-24(22)40-30/h4-14,17,27,32H,16H2,1-3H3,(H,33,36)(H,34,35,37)
    MOLECULAR FORMULA
    C30H27N5O3S2
    CROSS REFERENCES
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    canSAR1144363

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 569.16
    AlogP 6.72
    HBond donors 3
    HBond acceptors 8
    Atoms 67
    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 canSAR1144363.