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canSAR783607
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NAMES
    SMILES
    COCC(COC)N1C[C@@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H](N)C(C)C)CC2)[C@H](c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C31H45ClN4O3/c1-21(2)30(33)26-16-22(3)6-11-29(26)34-12-14-35(15-13-34)31(37)28-18-36(25(19-38-4)20-39-5)17-27(28)23-7-9-24(32)10-8-23/h6-11,16,21,25,27-28,30H,12-15,17-20,33H2,1-5H3/t27-,28+,30-/m0/s1
    MOLECULAR FORMULA
    C31H45ClN4O3
    CROSS REFERENCES
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    canSAR783607

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.32
    AlogP 4.33
    HBond donors 2
    HBond acceptors 7
    Atoms 84
    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 canSAR783607.