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canSAR220311
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NAMES
    SMILES
    CC(=O)Nc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1
    InChI
    InChI=1S/C34H48ClN5O2/c1-25(2)39-22-31(28-9-11-29(35)12-10-28)32(23-39)33(42)38-17-19-40(20-18-38)34(15-5-4-6-16-34)24-36-21-27-7-13-30(14-8-27)37-26(3)41/h7-14,25,31-32,36H,4-6,15-24H2,1-3H3,(H,37,41)/t31-,32+/m1/s1
    MOLECULAR FORMULA
    C34H48ClN5O2
    CROSS REFERENCES
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    canSAR220311

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 593.35
    AlogP 5.36
    HBond donors 2
    HBond acceptors 7
    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 canSAR220311.