General Information of the Compound
| Compound ID |
CP0510956
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| Compound Name |
(4-Nitro-phenyl)-(thiophene-2-carbonyl)-thiocarbamic acid O-(1-methyl-2-phenoxy-ethyl) ester
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| Structure |
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| Formula |
C21H18N2O5S2
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| Molecular Weight |
442.518
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| Canonical SMILES |
CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H18N2O5S2/c1-15(14-27-18-6-3-2-4-7-18)28-21(29)22(20(24)19-8-5-13-30-19)16-9-11-17(12-10-16)23(25)26/h2-13,15H,14H2,1H3
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| InChIKey |
LUEBFZCGHIJFKT-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