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canSAR1108375
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NAMES
    SMILES
    CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)cc3)nc2n(CCC)c1=O
    InChI
    InChI=1S/C33H39N7O6S/c1-5-19-39-31-29(32(42)40(20-6-2)33(39)43)36-30(37-31)22-13-15-23(16-14-22)46-21-28(41)34-17-18-35-47(44,45)27-12-8-9-24-25(27)10-7-11-26(24)38(3)4/h7-16,35H,5-6,17-21H2,1-4H3,(H,34,41)(H,36,37)
    MOLECULAR FORMULA
    C33H39N7O6S
    CROSS REFERENCES
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    canSAR1108375

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 661.27
    AlogP 3.07
    HBond donors 3
    HBond acceptors 13
    Atoms 86
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1108375.