canSAR630659
FEATURES
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NAMES
    SMILES
    Cc1c(/C=N\NC(=S)N2CCN(C(=S)N/N=C\c3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c(=O)n(-c2ccccc2)n1C
    InChI
    InChI=1S/C30H34N10O2S2/c1-21-25(27(41)39(35(21)3)23-11-7-5-8-12-23)19-31-33-29(43)37-15-17-38(18-16-37)30(44)34-32-20-26-22(2)36(4)40(28(26)42)24-13-9-6-10-14-24/h5-14,19-20H,15-18H2,1-4H3,(H,33,43)(H,34,44)/b31-19-,32-20-
    MOLECULAR FORMULA
    C30H34N10O2S2
    CROSS REFERENCES
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    canSAR630659
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight630.23
    AlogP2.02
    HBond donors2
    HBond acceptors12
    Atoms78
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR630659.