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canSAR1999042
FEATURES
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NAMES
    SMILES
    CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NS(=O)c3ccc(-c4noc(C)n4)cc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
    InChI
    InChI=1S/C39H45N7O5S/c1-5-7-19-44(20-8-6-2)39(49)35-21-26(3)46(41-35)36-18-15-31(43-52(50)33-16-13-28(14-17-33)37-40-27(4)51-42-37)23-34(36)38(48)45-24-30-12-10-9-11-29(30)22-32(45)25-47/h9-18,21,23,32,43,47H,5-8,19-20,22,24-25H2,1-4H3/t32-,52?/m0/s1
    MOLECULAR FORMULA
    C39H45N7O5S
    CROSS REFERENCES
    1999042 logo

    canSAR1999042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 723.32
    AlogP 6.28
    HBond donors 2
    HBond acceptors 12
    Atoms 97
    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 canSAR1999042.