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canSAR1444160
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2cc(C#CC(C)(C)O)ccc2S1(=O)=O
    InChI
    InChI=1S/C33H40N2O5S/c1-24-20-35(25(2)23-36)41(38,39)32-16-13-26(17-18-33(3,4)37)19-30(32)40-31(24)22-34(5)21-27-11-14-29(15-12-27)28-9-7-6-8-10-28/h6-16,19,24-25,31,36-37H,20-23H2,1-5H3/t24-,25+,31+/m1/s1
    MOLECULAR FORMULA
    C33H40N2O5S
    CROSS REFERENCES
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    canSAR1444160

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.27
    AlogP 4.38
    HBond donors 2
    HBond acceptors 7
    Atoms 81
    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 canSAR1444160.