General Information of the Compound
| Compound ID |
CP0015179
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| Compound Name |
2-[2-[(N-ethyl-4-fluoroanilino)methyl]-7-oxothieno[2,3-c]pyridin-6-yl]acetonitrile
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| Structure |
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| Formula |
C18H16FN3OS
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| Molecular Weight |
341.411
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| Canonical SMILES |
CCN(Cc1cc2ccn(CC#N)c(=O)c2s1)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H16FN3OS/c1-2-21(15-5-3-14(19)4-6-15)12-16-11-13-7-9-22(10-8-20)18(23)17(13)24-16/h3-7,9,11H,2,10,12H2,1H3
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| InChIKey |
RZVSDCRTHGMYRE-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