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canSAR1064106
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCC/C=C\[C@H](SC[C@H](N)C(=O)NCC(=O)O)[C@H](O)CCC(=O)O
    InChI
    InChI=1S/C24H44N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(20(27)15-16-22(28)29)33-18-19(25)24(32)26-17-23(30)31/h13-14,19-21,27H,2-12,15-18,25H2,1H3,(H,26,32)(H,28,29)(H,30,31)/b14-13-/t19-,20+,21-/m0/s1
    MOLECULAR FORMULA
    C24H44N2O6S
    CROSS REFERENCES
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    canSAR1064106

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.29
    AlogP 3.71
    HBond donors 6
    HBond acceptors 8
    Atoms 77
    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 canSAR1064106.