General Information of the Compound
| Compound ID |
CP0441219
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| Compound Name |
2-[(4-fluorophenyl)methylamino]-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C20H18FN5OS
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| Molecular Weight |
395.463
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| Canonical SMILES |
Cc1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NCc1ccc(F)cc1)c2C#N
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| InChI |
InChI=1S/C20H18FN5OS/c1-12-8-17(25-24-12)20(27)26-7-6-15-16(9-22)19(28-18(15)11-26)23-10-13-2-4-14(21)5-3-13/h2-5,8,23H,6-7,10-11H2,1H3,(H,24,25)
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| InChIKey |
FSTOLTCZGBUNAF-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