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canSAR499894
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NAMES
    SMILES
    CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCCC(C(N)=O)C3)nc2s1
    InChI
    InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)
    MOLECULAR FORMULA
    C31H34N6O2S
    CROSS REFERENCES
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    canSAR499894

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.25
    AlogP 4.58
    HBond donors 2
    HBond acceptors 8
    Atoms 74
    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 canSAR499894.