General Information of the Compound
| Compound ID |
CP0499291
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| Compound Name |
6-(4-fluorobenzoyl)-2-[(3-fluorophenyl)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H17F2N3OS
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| Molecular Weight |
409.461
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1cccc(F)c1)c2C#N
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| InChI |
InChI=1S/C22H17F2N3OS/c23-16-6-4-15(5-7-16)22(28)27-9-8-18-19(11-25)21(29-20(18)13-27)26-12-14-2-1-3-17(24)10-14/h1-7,10,26H,8-9,12-13H2
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| InChIKey |
YQROZFHKSNZOEZ-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