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canSAR2203594
FEATURES
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NAMES
    SMILES
    Cc1nccc(-c2ccc(C[C@H](NC(=O)[C@@H]3Cc4cc5c(cc4CN3C(=O)N[C@H](C)c3ccccc3)O[C@@H](c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CO5)C(=O)O)cc2)c1C
    InChI
    InChI=1S/C50H46Cl2N4O7/c1-29-30(2)53-20-19-41(29)34-11-9-32(10-12-34)21-43(49(58)59)55-48(57)44-22-37-23-45-46(24-38(37)26-56(44)50(60)54-31(3)33-7-5-4-6-8-33)63-47(28-62-45)35-14-17-40(18-15-35)61-27-36-13-16-39(51)25-42(36)52/h4-20,23-25,31,43-44,47H,21-22,26-28H2,1-3H3,(H,54,60)(H,55,57)(H,58,59)/t31-,43+,44+,47-/m1/s1
    MOLECULAR FORMULA
    C50H46Cl2N4O7
    CROSS REFERENCES
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    canSAR2203594

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 884.27
    AlogP 9.77
    HBond donors 3
    HBond acceptors 11
    Atoms 109
    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 canSAR2203594.