General Information of the Compound
| Compound ID |
CP0400667
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| Compound Name |
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H17ClN2OS2
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| Molecular Weight |
424.978
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)CSc1nc2CCCCc2c(-c2ccsc2)c1C#N
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| InChI |
InChI=1S/C22H17ClN2OS2/c23-16-7-5-14(6-8-16)20(26)13-28-22-18(11-24)21(15-9-10-27-12-15)17-3-1-2-4-19(17)25-22/h5-10,12H,1-4,13H2
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| InChIKey |
QQDBKMMYZYHGKO-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