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canSAR1091318
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NAMES
    SMILES
    O=C(N[C@@H]1CCC[C@H]1OCC1CCCC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
    InChI
    InChI=1S/C24H32ClN3O3/c25-18-8-9-22-20(14-18)27-24(31-22)28-12-10-17(11-13-28)23(29)26-19-6-3-7-21(19)30-15-16-4-1-2-5-16/h8-9,14,16-17,19,21H,1-7,10-13,15H2,(H,26,29)/t19-,21-/m1/s1
    MOLECULAR FORMULA
    C24H32ClN3O3
    CROSS REFERENCES
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    canSAR1091318

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.21
    AlogP 4.94
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR1091318.