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canSAR1085850
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(-c2cccc(OC)c2)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O
    InChI
    InChI=1S/C38H51NO10/c1-3-4-5-8-11-16-30(40)17-12-9-6-7-10-13-19-32(38(48,37(46)47)26-34(41)42)35(43)39-33(36(44)45)24-27-20-22-28(23-21-27)29-15-14-18-31(25-29)49-2/h13-15,18-23,25,32-33,48H,3-12,16-17,24,26H2,1-2H3,(H,39,43)(H,41,42)(H,44,45)(H,46,47)/b19-13+/t32-,33+,38+/m1/s1
    MOLECULAR FORMULA
    C38H51NO10
    CROSS REFERENCES
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    canSAR1085850

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 681.35
    AlogP 6.21
    HBond donors 5
    HBond acceptors 11
    Atoms 100
    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 canSAR1085850.