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canSAR1595005
FEATURES
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NAMES
    SMILES
    CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
    InChI
    InChI=1S/C26H33N3O5S/c1-18(2)6-7-21-8-9-25-23(14-21)34-24(16-28(5)26(31)22-10-12-27-13-11-22)19(3)15-29(20(4)17-30)35(25,32)33/h8-14,18-20,24,30H,15-17H2,1-5H3/t19-,20-,24-/m1/s1
    MOLECULAR FORMULA
    C26H33N3O5S
    CROSS REFERENCES
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    canSAR1595005

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.21
    AlogP 2.63
    HBond donors 1
    HBond acceptors 8
    Atoms 68
    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 canSAR1595005.