General Information of the Compound
| Compound ID |
CP0503071
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| Compound Name |
(2-Phenoxy-acetyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester
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| Structure |
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| Formula |
C23H21NO4S
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| Molecular Weight |
407.491
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| Canonical SMILES |
O=C(COc1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H21NO4S/c25-22(18-28-21-14-8-3-9-15-21)24(19-10-4-1-5-11-19)23(29)27-17-16-26-20-12-6-2-7-13-20/h1-15H,16-18H2
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| InChIKey |
QNINKHGCRZZIGB-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