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canSAR1129762
FEATURES
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NAMES
    SMILES
    Cc1ccc(/C=C2\CN(C(=O)C(=O)N3C/C(=C\c4ccc(C)cc4)C(=O)/C(=C/c4ccc(C)cc4)C3)C/C(=C\c3ccc(C)cc3)C2=O)cc1
    InChI
    InChI=1S/C44H40N2O4/c1-29-5-13-33(14-6-29)21-37-25-45(26-38(41(37)47)22-34-15-7-30(2)8-16-34)43(49)44(50)46-27-39(23-35-17-9-31(3)10-18-35)42(48)40(28-46)24-36-19-11-32(4)12-20-36/h5-24H,25-28H2,1-4H3/b37-21+,38-22+,39-23+,40-24+
    MOLECULAR FORMULA
    C44H40N2O4
    CROSS REFERENCES
    1129762 logo

    canSAR1129762

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 660.30
    AlogP 7.38
    HBond donors 0
    HBond acceptors 6
    Atoms 90
    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 canSAR1129762.