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canSAR463734
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NAMES
    SMILES
    O=C(NCCCn1ccnc1)C1CN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1
    InChI
    InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
    MOLECULAR FORMULA
    C32H39BrClN7O2
    CROSS REFERENCES
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    canSAR463734

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 667.20
    AlogP 5.12
    HBond donors 2
    HBond acceptors 9
    Atoms 82
    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 canSAR463734.