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canSAR1518629
FEATURES
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NAMES
    SMILES
    CCCCN(C(=O)CSc1cc(C)c2ccc(OC)cc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C28H31N5O4S/c1-4-5-13-32(25-26(29)33(28(36)31-27(25)35)16-19-9-7-6-8-10-19)24(34)17-38-23-14-18(2)21-12-11-20(37-3)15-22(21)30-23/h6-12,14-15H,4-5,13,16-17,29H2,1-3H3,(H,31,35,36)
    MOLECULAR FORMULA
    C28H31N5O4S
    CROSS REFERENCES
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    canSAR1518629

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.21
    AlogP 3.96
    HBond donors 3
    HBond acceptors 9
    Atoms 69
    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 canSAR1518629.