canSAR1417697
FEATURES
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NAMES
    SMILES
    Cc1cc(C)c(NC(=O)C[C@H](CC(=O)[O-])c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1.[Na+]
    InChI
    InChI=1S/C33H38N2O4.Na/c1-22-18-23(2)31(28(19-22)32(39)35-16-14-33(15-17-35)12-5-6-13-33)34-29(36)20-25(21-30(37)38)27-11-7-9-24-8-3-4-10-26(24)27;/h3-4,7-11,18-19,25H,5-6,12-17,20-21H2,1-2H3,(H,34,36)(H,37,38);/q;+1/p-1/t25-;/m1./s1
    MOLECULAR FORMULA
    C33H37N2NaO4
    CROSS REFERENCES
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    canSAR1417697
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight548.27
    AlogP2.51
    HBond donors1
    HBond acceptors6
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417697.