canSAR1387746
FEATURES
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NAMES
    SMILES
    CC(=O)NC(CSCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)[O-].[Na+]
    InChI
    InChI=1S/C18H28N2O6S.Na/c1-11(21)19-14(17(25)26)10-27-8-6-4-5-7-13(16(23)24)20-15(22)12-9-18(12,2)3;/h7,12,14H,4-6,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26);/q;+1/p-1/b13-7-;/t12-,14?;/m1./s1
    MOLECULAR FORMULA
    C18H27N2NaO6S
    CROSS REFERENCES
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    canSAR1387746
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight422.15
    AlogP-2.72
    HBond donors3
    HBond acceptors8
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387746.