General Information of the Compound
| Compound ID |
CP0498104
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| Compound Name |
Benzoyl-phenyl-thiocarbamic acid O-(2-phenylsulfanyl-ethyl) ester
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| Structure |
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| Formula |
C22H19NO2S2
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| Molecular Weight |
393.533
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| Canonical SMILES |
O=C(N(C(=S)OCCSc1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H19NO2S2/c24-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)22(26)25-16-17-27-20-14-8-3-9-15-20/h1-15H,16-17H2
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| InChIKey |
DFLGTUYBJVKKCA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound