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canSAR1112467
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NAMES
    SMILES
    O=C(COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1)NCCc1ccc(Cl)cc1Cl
    InChI
    InChI=1S/C33H22Cl3NO6/c34-22-3-1-2-19(14-22)4-11-25-26-16-27(33(40)41)29(38)17-30(26)43-32(25)21-6-9-24(10-7-21)42-18-31(39)37-13-12-20-5-8-23(35)15-28(20)36/h1-3,5-10,14-17,38H,12-13,18H2,(H,37,39)(H,40,41)
    MOLECULAR FORMULA
    C33H22Cl3NO6
    CROSS REFERENCES
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    canSAR1112467

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 633.05
    AlogP 7.60
    HBond donors 3
    HBond acceptors 7
    Atoms 65
    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 canSAR1112467.