General Information of the Compound
| Compound ID |
CP0523283
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| Compound Name |
(3-Nitro-benzoyl)-phenyl-thiocarbamic acid O-(1-methyl-2-phenoxy-ethyl) ester
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| Structure |
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| Formula |
C23H20N2O5S
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| Molecular Weight |
436.489
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| Canonical SMILES |
CC(COc1ccccc1)OC(=S)N(C(=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1
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| InChI |
InChI=1S/C23H20N2O5S/c1-17(16-29-21-13-6-3-7-14-21)30-23(31)24(19-10-4-2-5-11-19)22(26)18-9-8-12-20(15-18)25(27)28/h2-15,17H,16H2,1H3
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| InChIKey |
NEGULEIQDBJMRM-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