canSAR12344
FEATURES
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NAMES
    SMILES
    CCOC(=O)CCCCCCCC/N=C(\S)N1c2c(O)nc(N)nc2NCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
    InChI
    InChI=1S/C31H44N8O8S/c1-2-47-24(42)9-7-5-3-4-6-8-16-33-31(48)39-21(18-35-26-25(39)28(44)38-30(32)37-26)17-34-20-12-10-19(11-13-20)27(43)36-22(29(45)46)14-15-23(40)41/h10-13,21-22,34H,2-9,14-18H2,1H3,(H,33,48)(H,36,43)(H,40,41)(H,45,46)(H4,32,35,37,38,44)
    MOLECULAR FORMULA
    C31H44N8O8S
    CROSS REFERENCES
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    canSAR12344
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight688.30
    AlogP3.10
    HBond donors8
    HBond acceptors16
    Atoms92
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR12344.