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canSAR654832
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NAMES
    SMILES
    CCC1CCCCC1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1
    InChI
    InChI=1S/C27H27Cl3N6O/c1-2-17-5-3-4-6-23(17)33-27(37)25-21(14-35-16-31-15-32-35)26(18-7-9-19(28)10-8-18)36(34-25)24-12-11-20(29)13-22(24)30/h7-13,15-17,23H,2-6,14H2,1H3,(H,33,37)
    MOLECULAR FORMULA
    C27H27Cl3N6O
    CROSS REFERENCES
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    canSAR654832

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.13
    AlogP 6.84
    HBond donors 1
    HBond acceptors 7
    Atoms 64
    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 canSAR654832.