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canSAR1769147
FEATURES
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NAMES
    SMILES
    COc1ccccc1CNC(=O)CCC1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N2C1=O
    InChI
    InChI=1S/C33H35N5O6S/c1-42-26-11-7-4-8-22(26)19-35-29(39)15-13-25-32(41)38-31(36-25)23-9-5-6-10-24(23)37-33(38)45-20-30(40)34-17-16-21-12-14-27(43-2)28(18-21)44-3/h4-12,14,18,25H,13,15-17,19-20H2,1-3H3,(H,34,40)(H,35,39)
    MOLECULAR FORMULA
    C33H35N5O6S
    CROSS REFERENCES
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    canSAR1769147

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 629.23
    AlogP 3.86
    HBond donors 2
    HBond acceptors 11
    Atoms 80
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1769147.