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canSAR83348
FEATURES
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NAMES
    SMILES
    Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Br)cc3)C(=O)N3CCOCC3)c(=O)n21
    InChI
    InChI=1S/C27H30BrN7O5S/c1-17-18(4-9-23(29)31-17)15-30-24(36)21-3-2-10-33-26(38)34(27(39)35(21)33)22(25(37)32-11-13-40-14-12-32)16-41-20-7-5-19(28)6-8-20/h2-9,21-22H,10-16H2,1H3,(H2,29,31)(H,30,36)
    MOLECULAR FORMULA
    C27H30BrN7O5S
    CROSS REFERENCES
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    canSAR83348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 643.12
    AlogP 1.48
    HBond donors 3
    HBond acceptors 12
    Atoms 71
    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 canSAR83348.