General Information of the Compound
| Compound ID |
CP0477924
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| Compound Name |
N-[2-(azepan-1-yl)ethyl]-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
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| Structure |
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| Formula |
C21H25N3O2S
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| Molecular Weight |
383.517
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| Canonical SMILES |
Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)NCCN1CCCCCC1
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| InChI |
InChI=1S/C21H25N3O2S/c1-14-6-7-17-15(12-14)19-16(20(25)23-17)13-18(27-19)21(26)22-8-11-24-9-4-2-3-5-10-24/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,26)(H,23,25)
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| InChIKey |
WJKSRLPDBCLPGP-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