General Information of the Compound
| Compound ID |
CP0500912
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| Compound Name |
(4-Chloro-3-nitro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester
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| Structure |
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| Formula |
C22H17ClN2O5S
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| Molecular Weight |
456.907
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1Cl)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H17ClN2O5S/c23-19-12-11-16(15-20(19)25(27)28)21(26)24(17-7-3-1-4-8-17)22(31)30-14-13-29-18-9-5-2-6-10-18/h1-12,15H,13-14H2
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| InChIKey |
AALXKVVQEKWNSH-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