General Information of the Compound
| Compound ID |
CP0501328
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| Compound Name |
2-chloro-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
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| Structure |
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| Formula |
C22H19ClN2O2S
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| Molecular Weight |
410.926
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| Canonical SMILES |
Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2sccc12
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| InChI |
InChI=1S/C22H19ClN2O2S/c23-18-6-2-1-5-17(18)21(26)24-16-10-8-15(9-11-16)22(27)25-13-4-3-7-20-19(25)12-14-28-20/h1-2,5-6,8-12,14H,3-4,7,13H2,(H,24,26)
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| InChIKey |
RCIUOILUJSOGMK-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