General Information of the Compound
| Compound ID |
CP0476619
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| Compound Name |
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide
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| Structure |
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| Formula |
C20H23N3O2S2
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| Molecular Weight |
401.557
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| Canonical SMILES |
O=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C20H23N3O2S2/c24-27(25,18-13-16-5-1-2-6-19(16)21-14-18)22-9-3-4-10-23-11-7-20-17(15-23)8-12-26-20/h1-2,5-6,8,12-14,22H,3-4,7,9-11,15H2
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| InChIKey |
KNXYPLSGYHZXCL-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