General Information of the Compound
| Compound ID |
CP0887786
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| Compound Name |
N-(1,1-dioxothian-4-yl)-2-[(3-methoxyphenyl)methylcarbamoylamino]-N-methyl-acetamide
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| Structure |
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| Formula |
C17H25N3O5S
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| Molecular Weight |
383.47
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| Canonical SMILES |
COc1cccc(CNC(=O)NCC(=O)N(C)C2CCS(=O)(=O)CC2)c1
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| InChI |
InChI=1S/C17H25N3O5S/c1-20(14-6-8-26(23,24)9-7-14)16(21)12-19-17(22)18-11-13-4-3-5-15(10-13)25-2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H2,18,19,22)
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| InChIKey |
HWOSDRDTFVBXEJ-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