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canSAR1266991
FEATURES
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NAMES
    SMILES
    C=CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)C1CSCN12
    InChI
    InChI=1S/C41H32N6O2S/c1-2-21-45-34-20-12-10-18-32(34)41(39(45)49)37(31-23-47(28-15-7-4-8-16-28)44-36(31)27-13-5-3-6-14-27)40(25-42,35-24-50-26-46(35)41)38(48)30-22-43-33-19-11-9-17-29(30)33/h2-20,22-23,35,37,43H,1,21,24,26H2/t35?,37-,40+,41+/m1/s1
    MOLECULAR FORMULA
    C41H32N6O2S
    CROSS REFERENCES
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    canSAR1266991

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 672.23
    AlogP 7.31
    HBond donors 1
    HBond acceptors 8
    Atoms 82
    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 canSAR1266991.