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canSAR1492669
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NAMES
    SMILES
    CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)cc12
    InChI
    InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)
    MOLECULAR FORMULA
    C33H40ClN5O3
    CROSS REFERENCES
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    canSAR1492669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.28
    AlogP 7.08
    HBond donors 4
    HBond acceptors 8
    Atoms 82
    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 canSAR1492669.