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canSAR1635848
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NAMES
    SMILES
    COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCOCC4)CC3)cc1)C(=O)C2
    InChI
    InChI=1S/C37H46ClN3O4/c1-25(2)45-35-23-33-28(21-34(35)43-4)22-36(42)41(37(33)27-7-9-29(38)10-8-27)32-15-13-30(14-16-32)39(3)24-26-5-11-31(12-6-26)40-17-19-44-20-18-40/h7-10,13-16,21,23,25-26,31,37H,5-6,11-12,17-20,22,24H2,1-4H3/t26-,31-,37-/m0/s1
    MOLECULAR FORMULA
    C37H46ClN3O4
    CROSS REFERENCES
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    canSAR1635848

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.32
    AlogP 7.14
    HBond donors 0
    HBond acceptors 7
    Atoms 91
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1635848.