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canSAR1012393
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NAMES
    SMILES
    CNCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
    InChI
    InChI=1S/C32H35Cl3N4O4/c1-20-13-27(34)31(28(35)14-20)43-12-11-42-25-8-6-24(7-9-25)39-29(17-37-18-30(39)40)32(41)38(23-4-5-23)19-22-15-21(16-36-2)3-10-26(22)33/h3,6-10,13-15,23,29,36-37H,4-5,11-12,16-19H2,1-2H3/t29-/m1/s1
    MOLECULAR FORMULA
    C32H35Cl3N4O4
    CROSS REFERENCES
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    canSAR1012393

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 644.17
    AlogP 5.63
    HBond donors 2
    HBond acceptors 8
    Atoms 78
    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 canSAR1012393.