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canSAR1131813
FEATURES
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NAMES
    SMILES
    O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
    InChI
    InChI=1S/C30H31F3N4O3S/c31-30(32,33)40-24-11-12-26-27(21-24)41-28(34-26)35-29(38)37(16-15-36-17-19-39-20-18-36)14-13-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,21,25H,13-20H2,(H,34,35,38)
    MOLECULAR FORMULA
    C30H31F3N4O3S
    CROSS REFERENCES
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    canSAR1131813

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.21
    AlogP 6.58
    HBond donors 1
    HBond acceptors 7
    Atoms 72
    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 canSAR1131813.