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canSAR1718176
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NAMES
    SMILES
    O=C(NCC1CCCO1)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1
    InChI
    InChI=1S/C23H20ClN3O2/c24-15-6-3-5-14(11-15)21-22-18(17-8-1-2-9-19(17)26-22)12-20(27-21)23(28)25-13-16-7-4-10-29-16/h1-3,5-6,8-9,11-12,16,26H,4,7,10,13H2,(H,25,28)
    MOLECULAR FORMULA
    C23H20ClN3O2
    CROSS REFERENCES
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    canSAR1718176

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.12
    AlogP 4.95
    HBond donors 2
    HBond acceptors 5
    Atoms 49
    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 canSAR1718176.