General Information of the Compound
| Compound ID |
CP0548424
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| Compound Name |
N-[(2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C16H14N2O4S
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| Molecular Weight |
330.365
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| Canonical SMILES |
COc1ccccc1NC(=S)NC(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C16H14N2O4S/c1-20-12-5-3-2-4-11(12)17-16(23)18-15(19)10-6-7-13-14(8-10)22-9-21-13/h2-8H,9H2,1H3,(H2,17,18,19,23)
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| InChIKey |
ZRQMLRZIEVRNSP-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