General Information of the Compound
| Compound ID |
CP0455423
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| Compound Name |
(3,5-Dichloro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester
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| Structure |
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| Formula |
C22H17Cl2NO3S
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| Molecular Weight |
446.355
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| Canonical SMILES |
Clc1cc(Cl)cc(c1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H17Cl2NO3S/c23-17-13-16(14-18(24)15-17)21(26)25(19-7-3-1-4-8-19)22(29)28-12-11-27-20-9-5-2-6-10-20/h1-10,13-15H,11-12H2
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| InChIKey |
IJLMEFFRGWXVNZ-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