General Information of the Compound
| Compound ID |
CP0953917
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| Compound Name |
6-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H23N5OS
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| Molecular Weight |
417.538
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| Canonical SMILES |
O=C(NCc1ccccn1)c1csc2c1CCN(CCc1nc3ccccc3[nH]1)C2
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| InChI |
InChI=1S/C23H23N5OS/c29-23(25-13-16-5-3-4-10-24-16)18-15-30-21-14-28(11-8-17(18)21)12-9-22-26-19-6-1-2-7-20(19)27-22/h1-7,10,15H,8-9,11-14H2,(H,25,29)(H,26,27)
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| InChIKey |
MCHXFVKOUYEMAP-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