General Information of the Compound
| Compound ID |
CP0417153
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| Compound Name |
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H18ClN3OS2
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| Molecular Weight |
439.993
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| Canonical SMILES |
CN1CCc2nc(SCC(=O)c3ccc(Cl)cc3)c(C#N)c(-c3ccsc3)c2C1
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| InChI |
InChI=1S/C22H18ClN3OS2/c1-26-8-6-19-18(11-26)21(15-7-9-28-12-15)17(10-24)22(25-19)29-13-20(27)14-2-4-16(23)5-3-14/h2-5,7,9,12H,6,8,11,13H2,1H3
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| InChIKey |
TXSFZALDGGIYJG-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