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canSAR1616639
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NAMES
    SMILES
    CC(C)(C)C(C(Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C(c1cccc(Cl)c1)N1CCCCC1
    InChI
    InChI=1S/C27H32Cl2N8O/c1-27(2,3)24(26(36-18-30-17-31-36)38-22-12-10-20(28)11-13-22)37-25(32-33-34-37)23(35-14-5-4-6-15-35)19-8-7-9-21(29)16-19/h7-13,16-18,23-24,26H,4-6,14-15H2,1-3H3
    MOLECULAR FORMULA
    C27H32Cl2N8O
    CROSS REFERENCES
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    canSAR1616639

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.21
    AlogP 6.01
    HBond donors 0
    HBond acceptors 9
    Atoms 70
    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 canSAR1616639.