General Information of the Compound
| Compound ID |
CP0949891
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| Compound Name |
N,N-diethyl-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C18H24N2OS2
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| Molecular Weight |
348.537
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| Canonical SMILES |
CCN(CC)C(=O)c1c(NCc2cccs2)sc2c1CCCC2
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| InChI |
InChI=1S/C18H24N2OS2/c1-3-20(4-2)18(21)16-14-9-5-6-10-15(14)23-17(16)19-12-13-8-7-11-22-13/h7-8,11,19H,3-6,9-10,12H2,1-2H3
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| InChIKey |
PGQTYYQTZDXSJM-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