canSAR706850
FEATURES
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NAMES
    SMILES
    COC(=O)c1nc2nccc(N3CCC(c4nc(C(=O)Nc5nc6cc(C(=O)c7ccccc7)ccc6[nH]5)cs4)CC3)n2n1
    InChI
    InChI=1S/C30H25N9O4S/c1-43-28(42)25-35-30-31-12-9-23(39(30)37-25)38-13-10-18(11-14-38)27-32-22(16-44-27)26(41)36-29-33-20-8-7-19(15-21(20)34-29)24(40)17-5-3-2-4-6-17/h2-9,12,15-16,18H,10-11,13-14H2,1H3,(H2,33,34,36,41)
    MOLECULAR FORMULA
    C30H25N9O4S
    CROSS REFERENCES
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    canSAR706850
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight607.18
    AlogP4.11
    HBond donors2
    HBond acceptors13
    Atoms69
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR706850.