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canSAR1110840
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NAMES
    SMILES
    O=C(Cc1ccc(F)cc1)NCCNC(=O)C1(NC(=O)c2cccs2)CCN(Cc2ccccc2)CC1
    InChI
    InChI=1S/C28H31FN4O3S/c29-23-10-8-21(9-11-23)19-25(34)30-14-15-31-27(36)28(32-26(35)24-7-4-18-37-24)12-16-33(17-13-28)20-22-5-2-1-3-6-22/h1-11,18H,12-17,19-20H2,(H,30,34)(H,31,36)(H,32,35)
    MOLECULAR FORMULA
    C28H31FN4O3S
    CROSS REFERENCES
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    canSAR1110840

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.21
    AlogP 3.13
    HBond donors 3
    HBond acceptors 7
    Atoms 68
    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 canSAR1110840.