General Information of the Compound
| Compound ID |
CP0347208
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| Compound Name |
6-(4-fluorobenzoyl)-2-[(3-methoxyphenyl)methylamino]-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 |
COc1cccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C23H20FN3O2S/c1-29-18-4-2-3-15(11-18)13-26-22-20(12-25)19-9-10-27(14-21(19)30-22)23(28)16-5-7-17(24)8-6-16/h2-8,11,26H,9-10,13-14H2,1H3
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| InChIKey |
SGFWEBFPYCWAOB-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