canSAR823906
FEATURES
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NAMES
    SMILES
    CC(=O)NC1C(O)CC(OCCCCC(=O)NCc2cc3ccccc3c3ccccc23)(C(=O)O)OC1[C@H](O)[C@H](O)CO
    InChI
    InChI=1S/C31H38N2O10/c1-18(35)33-27-24(36)15-31(30(40)41,43-29(27)28(39)25(37)17-34)42-13-7-6-12-26(38)32-16-20-14-19-8-2-3-9-21(19)23-11-5-4-10-22(20)23/h2-5,8-11,14,24-25,27-29,34,36-37,39H,6-7,12-13,15-17H2,1H3,(H,32,38)(H,33,35)(H,40,41)/t24?,25-,27?,28-,29?,31?/m1/s1
    MOLECULAR FORMULA
    C31H38N2O10
    CROSS REFERENCES
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    canSAR823906
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight598.25
    AlogP0.95
    HBond donors7
    HBond acceptors12
    Atoms81
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823906.