General Information of the Compound
| Compound ID |
CP0494879
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| Compound Name |
4-(3-fluorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C20H17FN2OS
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| Molecular Weight |
352.434
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| Canonical SMILES |
Fc1cccc(c1)C1N(CCc2sccc12)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C20H17FN2OS/c21-15-6-4-5-14(13-15)19-17-10-12-25-18(17)9-11-23(19)20(24)22-16-7-2-1-3-8-16/h1-8,10,12-13,19H,9,11H2,(H,22,24)
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| InChIKey |
RLSQHBPQCFEAPR-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