General Information of the Compound
| Compound ID |
CP0566038
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| Compound Name |
N-(3-chlorophenyl)-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 |
C18H16ClF3N2O2S
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| Molecular Weight |
416.852
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| Canonical SMILES |
FC(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C18H16ClF3N2O2S/c19-10-5-4-6-11(9-10)23-15(25)14-12-7-2-1-3-8-13(12)27-16(14)24-17(26)18(20,21)22/h4-6,9H,1-3,7-8H2,(H,23,25)(H,24,26)
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| InChIKey |
IWADIEZHUMJRFJ-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