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canSAR1443938
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NAMES
    SMILES
    O=C(NCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccccc1Cl.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C21H23ClN4O2.C2HF3O2/c22-17-6-2-1-5-16(17)20(27)23-11-14-25-12-9-15(10-13-25)26-19-8-4-3-7-18(19)24-21(26)28;3-2(4,5)1(6)7/h1-8,15H,9-14H2,(H,23,27)(H,24,28);(H,6,7)
    MOLECULAR FORMULA
    C23H24ClF3N4O4
    CROSS REFERENCES
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    canSAR1443938

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.14
    AlogP 4.10
    HBond donors 3
    HBond acceptors 8
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1443938.