General Information of the Compound
| Compound ID |
CP0432956
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| Compound Name |
5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C20H21NO3S
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| Molecular Weight |
355.459
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| Canonical SMILES |
CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
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| InChI |
InChI=1S/C20H21NO3S/c1-3-8-14-16-15(11-12-25-20(16)23)21-18(13-9-6-5-7-10-13)17(14)19(22)24-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3
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| InChIKey |
YSNBDPJLNZJYOS-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