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canSAR1126996
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NAMES
    SMILES
    CC(C)C1=C(C(=O)N2[C@H](C(=O)N3CCN(C)C(C)(C)C3)CC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
    InChI
    InChI=1S/C35H43Cl2N5O2S/c1-21(2)28-29(32(44)41-22(3)8-17-27(41)31(43)40-19-18-39(7)34(4,5)20-40)45-33-38-35(6,24-11-15-26(37)16-12-24)30(42(28)33)23-9-13-25(36)14-10-23/h9-16,21-22,27,30H,8,17-20H2,1-7H3/t22-,27+,30-,35+/m1/s1
    MOLECULAR FORMULA
    C35H43Cl2N5O2S
    CROSS REFERENCES
    1126996 logo

    canSAR1126996

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 667.25
    AlogP 7.17
    HBond donors 0
    HBond acceptors 7
    Atoms 88
    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 canSAR1126996.