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canSAR1121987
FEATURES
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NAMES
    SMILES
    C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cn(CC#N)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21
    InChI
    InChI=1S/C29H32N2O4/c1-4-5-22-23-14-17(2)6-11-21(23)18(3)15-24(22)27(33)26-28(34)25(16-31(13-12-30)29(26)35)19-7-9-20(32)10-8-19/h4-5,7-10,15-17,21-24,32,34H,6,11,13-14H2,1-3H3/b5-4+/t17-,21+,22+,23-,24+/m0/s1
    MOLECULAR FORMULA
    C29H32N2O4
    CROSS REFERENCES
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    canSAR1121987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.24
    AlogP 5.45
    HBond donors 2
    HBond acceptors 6
    Atoms 67
    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 canSAR1121987.