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canSAR1271261
FEATURES
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NAMES
    SMILES
    CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(NCCN(C)C)c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O
    InChI
    InChI=1S/C32H50N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,37-39H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1
    MOLECULAR FORMULA
    C32H50N4O8
    CROSS REFERENCES
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    canSAR1271261

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.36
    AlogP 3.53
    HBond donors 7
    HBond acceptors 12
    Atoms 94
    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 canSAR1271261.