canSAR709603
FEATURES
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NAMES
    SMILES
    O=C(c1ccccc1)c1ccc2[nH]c(NC(=O)c3csc(C4CCN(c5ccnc6ncnn56)CC4)n3)nc2c1
    InChI
    InChI=1S/C28H23N9O2S/c38-24(17-4-2-1-3-5-17)19-6-7-20-21(14-19)34-27(33-20)35-25(39)22-15-40-26(32-22)18-9-12-36(13-10-18)23-8-11-29-28-30-16-31-37(23)28/h1-8,11,14-16,18H,9-10,12-13H2,(H2,33,34,35,39)
    MOLECULAR FORMULA
    C28H23N9O2S
    CROSS REFERENCES
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    canSAR709603
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight549.17
    AlogP4.32
    HBond donors2
    HBond acceptors11
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR709603.