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canSAR1689158
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NAMES
    SMILES
    O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1)[C@H]1Cc2ccccc2CN1
    InChI
    InChI=1S/C32H31Cl2N5O2/c33-24-7-5-21(6-8-24)17-29(37-31(40)28-18-22-3-1-2-4-23(22)20-36-28)32(41)39-15-13-38(14-16-39)30-11-12-35-27-19-25(34)9-10-26(27)30/h1-12,19,28-29,36H,13-18,20H2,(H,37,40)/t28-,29-/m1/s1
    MOLECULAR FORMULA
    C32H31Cl2N5O2
    CROSS REFERENCES
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    canSAR1689158

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.19
    AlogP 4.63
    HBond donors 2
    HBond acceptors 7
    Atoms 72
    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 canSAR1689158.