General Information of the Compound
| Compound ID |
CP0444406
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| Compound Name |
N-[3-(diethylcarbamoyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C19H24N2O2S2
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| Molecular Weight |
376.547
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| Canonical SMILES |
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCCc12
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| InChI |
InChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)16-13-9-6-5-7-10-14(13)25-18(16)20-17(22)15-11-8-12-24-15/h8,11-12H,3-7,9-10H2,1-2H3,(H,20,22)
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| InChIKey |
IAIUGBGDTKFMAU-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