General Information of the Compound
| Compound ID |
CP0561202
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| Compound Name |
2-acetamido-N-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C19H19F3N2O3S
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| Molecular Weight |
412.433
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| Canonical SMILES |
CC(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C19H19F3N2O3S/c1-11(25)23-18-16(12-7-3-2-4-10-15(12)28-18)17(26)24-13-8-5-6-9-14(13)27-19(20,21)22/h5-6,8-9H,2-4,7,10H2,1H3,(H,23,25)(H,24,26)
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| InChIKey |
UPMQCHLGPVDPOB-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