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canSAR2206273
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)NCc1ccc([C@@H](CO)N(Cc2cc3cccnc3[nH]2)S(=O)(=O)c2ccc3scnc3c2)s1)C(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C39H36N6O6S3/c1-51-39(48)44-36(35(25-9-4-2-5-10-25)26-11-6-3-7-12-26)38(47)41-21-29-14-16-34(53-29)32(23-46)45(22-28-19-27-13-8-18-40-37(27)43-28)54(49,50)30-15-17-33-31(20-30)42-24-52-33/h2-20,24,32,35-36,46H,21-23H2,1H3,(H,40,43)(H,41,47)(H,44,48)/t32-,36+/m1/s1
    MOLECULAR FORMULA
    C39H36N6O6S3
    CROSS REFERENCES
    2206273 logo

    canSAR2206273

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 780.19
    AlogP 6.33
    HBond donors 4
    HBond acceptors 12
    Atoms 90
    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 canSAR2206273.