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canSAR1128417
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NAMES
    SMILES
    Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1C
    InChI
    InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-9-7-15-31(34)38(46)42-24-21-36(45)40-22-10-4-3-5-11-23-41-37-29-14-6-8-16-33(29)44-35-25-28(39)19-20-30(35)37/h7,9,12-13,15,17-20,25,43H,3-6,8,10-11,14,16,21-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)
    MOLECULAR FORMULA
    C38H46ClN5O2
    CROSS REFERENCES
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    canSAR1128417

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 639.33
    AlogP 8.43
    HBond donors 4
    HBond acceptors 7
    Atoms 92
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1128417.