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canSAR647445
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NAMES
    SMILES
    C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1cccc(NC(=O)CN2CCN(CCCN(C)C)CC2)c1
    InChI
    InChI=1S/C38H46N6O3/c1-6-23-47-33-15-16-35-34(25-33)37(31-13-11-30(12-14-31)28(2)3)40-38(46)44(35)26-29-9-7-10-32(24-29)39-36(45)27-43-21-19-42(20-22-43)18-8-17-41(4)5/h1,7,9-16,24-25,28H,8,17-23,26-27H2,2-5H3,(H,39,45)
    MOLECULAR FORMULA
    C38H46N6O3
    CROSS REFERENCES
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    canSAR647445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 634.36
    AlogP 4.75
    HBond donors 1
    HBond acceptors 9
    Atoms 93
    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 canSAR647445.