General Information of the Compound
| Compound ID |
CP0233491
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| Compound Name |
ethyl 2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Structure |
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| Formula |
C16H17NO3S2
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| Molecular Weight |
335.45
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| Canonical SMILES |
CCOC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
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| InChI |
InChI=1S/C16H17NO3S2/c1-2-20-16(19)13-10-6-3-4-7-11(10)22-15(13)17-14(18)12-8-5-9-21-12/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)
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| InChIKey |
BEZPESQLRYMCPE-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