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canSAR831049
FEATURES
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NAMES
    SMILES
    COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)C23C(=O)c2ccccc2C3=O)cc1
    InChI
    InChI=1S/C28H21ClN2O4S/c1-35-17-9-6-15(7-10-17)23-22-13-36-14-31(22)28(20-12-16(29)8-11-21(20)30-26(28)34)27(23)24(32)18-4-2-3-5-19(18)25(27)33/h2-12,22-23H,13-14H2,1H3,(H,30,34)/t22-,23-,28-/m0/s1
    MOLECULAR FORMULA
    C28H21ClN2O4S
    CROSS REFERENCES
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    canSAR831049

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.09
    AlogP 4.73
    HBond donors 1
    HBond acceptors 6
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831049.