General Information of the Compound
| Compound ID |
CP0413318
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| Compound Name |
2-morpholin-4-yl-1-(4-nitrophenyl)-2-sulfanylideneethanone
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| Structure |
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| Formula |
C12H12N2O4S
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| Molecular Weight |
280.305
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)C(=S)N1CCOCC1
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| InChI |
InChI=1S/C12H12N2O4S/c15-11(12(19)13-5-7-18-8-6-13)9-1-3-10(4-2-9)14(16)17/h1-4H,5-8H2
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| InChIKey |
MWOIENLQRWUAHG-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