General Information of the Compound
| Compound ID |
CP0281570
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| Compound Name |
(4-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
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| Structure |
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| Formula |
C22H15ClN2O4S2
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| Molecular Weight |
470.959
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| Canonical SMILES |
Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
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| InChI |
InChI=1S/C22H15ClN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2
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| InChIKey |
JFSOKTWCCJAICZ-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