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canSAR1619458
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NAMES
    SMILES
    CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccccc1)C2
    InChI
    InChI=1S/C28H30Cl2N2O4/c1-2-36-27(35)28-13-7-6-10-24(28)32(18-20-11-12-22(29)15-23(20)30)26(34)21(16-28)14-25(33)31-17-19-8-4-3-5-9-19/h3-5,8-12,15,21H,2,6-7,13-14,16-18H2,1H3,(H,31,33)/t21-,28+/m1/s1
    MOLECULAR FORMULA
    C28H30Cl2N2O4
    CROSS REFERENCES
    1619458 logo

    canSAR1619458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.16
    AlogP 5.67
    HBond donors 1
    HBond acceptors 6
    Atoms 66
    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 canSAR1619458.