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canSAR660300
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NAMES
    SMILES
    Cl.NCCCCCCCCNCc1c2c(nc3ccccc13)-c1cc3ccccc3c(=O)n1C2
    InChI
    InChI=1S/C28H32N4O.ClH/c29-15-9-3-1-2-4-10-16-30-18-23-22-13-7-8-14-25(22)31-27-24(23)19-32-26(27)17-20-11-5-6-12-21(20)28(32)33;/h5-8,11-14,17,30H,1-4,9-10,15-16,18-19,29H2;1H
    MOLECULAR FORMULA
    C28H33ClN4O
    CROSS REFERENCES
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    canSAR660300

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.23
    AlogP 5.39
    HBond donors 3
    HBond acceptors 5
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR660300.