General Information of the Compound
| Compound ID |
CP0456822
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| Compound Name |
2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C19H16FN5OS
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| Molecular Weight |
381.436
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| Canonical SMILES |
Fc1ccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccn[nH]2)cc1
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| InChI |
InChI=1S/C19H16FN5OS/c20-13-3-1-12(2-4-13)10-22-18-15(9-21)14-6-8-25(11-17(14)27-18)19(26)16-5-7-23-24-16/h1-5,7,22H,6,8,10-11H2,(H,23,24)
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| InChIKey |
WUAGFWVSHPLBOW-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