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canSAR2047895
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NAMES
    SMILES
    Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
    InChI
    InChI=1S/C33H42Cl2N6O2/c1-22-17-23(18-26-21-36-38-31(22)26)19-30(32(42)40-15-9-27(10-16-40)39-11-3-2-4-12-39)37-33(43)41-13-7-24(8-14-41)25-5-6-28(34)29(35)20-25/h5-6,17-18,20-21,24,27,30H,2-4,7-16,19H2,1H3,(H,36,38)(H,37,43)/t30-/m1/s1
    MOLECULAR FORMULA
    C33H42Cl2N6O2
    CROSS REFERENCES
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    canSAR2047895

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.27
    AlogP 6.16
    HBond donors 2
    HBond acceptors 8
    Atoms 85
    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 canSAR2047895.