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canSAR11491
FEATURES
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NAMES
    SMILES
    C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O
    InChI
    InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27+,29+/m1/s1
    MOLECULAR FORMULA
    C31H43N3O8
    CROSS REFERENCES
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    canSAR11491

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.31
    AlogP 2.54
    HBond donors 5
    HBond acceptors 11
    Atoms 85
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR11491.