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canSAR1144700
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NAMES
    SMILES
    O=C(O)CCCN1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)CC1c1ccc(Cl)cc1
    InChI
    InChI=1S/C28H23Cl2N3O3/c29-19-11-7-17(8-12-19)24-16-23(32-33(24)15-3-6-25(34)35)27-26(18-9-13-20(30)14-10-18)21-4-1-2-5-22(21)31-28(27)36/h1-2,4-5,7-14,24H,3,6,15-16H2,(H,31,36)(H,34,35)
    MOLECULAR FORMULA
    C28H23Cl2N3O3
    CROSS REFERENCES
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    canSAR1144700

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.11
    AlogP 6.52
    HBond donors 2
    HBond acceptors 6
    Atoms 59
    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 canSAR1144700.