General Information of the Compound
| Compound ID |
CP0387362
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| Compound Name |
Ethyl (3-((3- chloro-4- fluorophenyl) amino)benzo [b]thiophen-2- yl)carbamate
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| Structure |
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| Formula |
C17H14ClFN2O2S
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| Molecular Weight |
364.829
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| Canonical SMILES |
CCOC(=O)Nc1sc2ccccc2c1Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C17H14ClFN2O2S/c1-2-23-17(22)21-16-15(11-5-3-4-6-14(11)24-16)20-10-7-8-13(19)12(18)9-10/h3-9,20H,2H2,1H3,(H,21,22)
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| InChIKey |
XLQFBIPTVNETRD-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