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canSAR1977697
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NAMES
    SMILES
    C/C1=C\CC(C)(C)/C=C/C(=O)N(Cc2cn(CCOc3ccc(C(=O)/C=C/c4ccc(C(C)C)cc4)c(O)c3)nn2)/C(C)=C/CC1
    InChI
    InChI=1S/C38H46N4O4/c1-27(2)31-13-10-30(11-14-31)12-17-35(43)34-16-15-33(24-36(34)44)46-23-22-41-25-32(39-40-41)26-42-29(4)9-7-8-28(3)18-20-38(5,6)21-19-37(42)45/h9-19,21,24-25,27,44H,7-8,20,22-23,26H2,1-6H3/b17-12+,21-19+,28-18+,29-9+
    MOLECULAR FORMULA
    C38H46N4O4
    CROSS REFERENCES
    1977697 logo

    canSAR1977697

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.35
    AlogP 8.03
    HBond donors 1
    HBond acceptors 8
    Atoms 92
    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 canSAR1977697.