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canSAR1649691
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NAMES
    SMILES
    Clc1ccccc1OCCN1CCC(Cc2ccccc2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C20H24ClNO.C2H2O4/c21-19-8-4-5-9-20(19)23-15-14-22-12-10-18(11-13-22)16-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-9,18H,10-16H2;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C22H26ClNO5
    CROSS REFERENCES
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    canSAR1649691

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.15
    AlogP 3.83
    HBond donors 2
    HBond acceptors 6
    Atoms 55
    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 canSAR1649691.