General Information of the Compound
| Compound ID |
CP0547396
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| Compound Name |
N-(2-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C18H16F4N2O2S
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| Molecular Weight |
400.397
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| Canonical SMILES |
Fc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCCc12
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| InChI |
InChI=1S/C18H16F4N2O2S/c19-11-7-4-5-8-12(11)23-15(25)14-10-6-2-1-3-9-13(10)27-16(14)24-17(26)18(20,21)22/h4-5,7-8H,1-3,6,9H2,(H,23,25)(H,24,26)
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| InChIKey |
CSFGVHVUPPUJAI-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