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canSAR1126199
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NAMES
    SMILES
    CC[C@@H]1CC[C@@H](C(=O)N2CCN(C)[C@@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1
    InChI
    InChI=1S/C35H43Cl2N5O2S/c1-7-27-16-17-28(32(43)40-19-18-39(6)22(4)20-40)41(27)33(44)30-29(21(2)3)42-31(23-8-12-25(36)13-9-23)35(5,38-34(42)45-30)24-10-14-26(37)15-11-24/h8-15,21-22,27-28,31H,7,16-20H2,1-6H3/t22-,27+,28-,31+,35-/m0/s1
    MOLECULAR FORMULA
    C35H43Cl2N5O2S
    CROSS REFERENCES
    1126199 logo

    canSAR1126199

    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 canSAR1126199.