General Information of the Compound
| Compound ID |
CP0123121
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| Compound Name |
2-(benzylamino)-6-(4-fluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H18FN3OS
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| Molecular Weight |
391.471
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
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| InChI |
InChI=1S/C22H18FN3OS/c23-17-8-6-16(7-9-17)22(27)26-11-10-18-19(12-24)21(28-20(18)14-26)25-13-15-4-2-1-3-5-15/h1-9,25H,10-11,13-14H2
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| InChIKey |
SKUYXOKSSJNXTL-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