General Information of the Compound
| Compound ID |
CP0014797
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| Compound Name |
3-[2-[(N-ethyl-4-fluoroanilino)methyl]-4-methyl-7-oxothieno[2,3-c]pyridin-6-yl]propanenitrile
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| Structure |
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| Formula |
C20H20FN3OS
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| Molecular Weight |
369.465
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| Canonical SMILES |
CCN(Cc1cc2c(C)cn(CCC#N)c(=O)c2s1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H20FN3OS/c1-3-23(16-7-5-15(21)6-8-16)13-17-11-18-14(2)12-24(10-4-9-22)20(25)19(18)26-17/h5-8,11-12H,3-4,10,13H2,1-2H3
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| InChIKey |
ULTWRMWEWHTTTF-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