General Information of the Compound
| Compound ID |
CP0442052
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| Compound Name |
2-[(4-fluorophenyl)methylamino]-6-(4-methoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C23H20FN3O2S
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| Molecular Weight |
421.497
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1ccc(F)cc1)c2C#N
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| InChI |
InChI=1S/C23H20FN3O2S/c1-29-18-8-4-16(5-9-18)23(28)27-11-10-19-20(12-25)22(30-21(19)14-27)26-13-15-2-6-17(24)7-3-15/h2-9,26H,10-11,13-14H2,1H3
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| InChIKey |
NCVOTRXWVIDBOQ-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