General Information of the Compound
| Compound ID |
CP0504803
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| Compound Name |
(2,4-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 |
Clc1ccc(C(=O)N(C(=S)OCCOc2ccccc2)c2ccccc2)c(Cl)c1
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| InChI |
InChI=1S/C22H17Cl2NO3S/c23-16-11-12-19(20(24)15-16)21(26)25(17-7-3-1-4-8-17)22(29)28-14-13-27-18-9-5-2-6-10-18/h1-12,15H,13-14H2
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| InChIKey |
FAMFVKKBFLGZPI-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