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canSAR1121748
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NAMES
    SMILES
    C[C@H](c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@H](C)c3ccccc3)cc2)cc1
    InChI
    InChI=1S/C40H44N4O2/c1-29(33-11-5-3-6-12-33)43-27-9-15-37(43)39(45)41-35-23-19-31(20-24-35)17-18-32-21-25-36(26-22-32)42-40(46)38-16-10-28-44(38)30(2)34-13-7-4-8-14-34/h3-8,11-14,17-26,29-30,37-38H,9-10,15-16,27-28H2,1-2H3,(H,41,45)(H,42,46)/b18-17+/t29-,30-,37+,38+/m1/s1
    MOLECULAR FORMULA
    C40H44N4O2
    CROSS REFERENCES
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    canSAR1121748

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.35
    AlogP 8.19
    HBond donors 2
    HBond acceptors 6
    Atoms 90
    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 canSAR1121748.