General Information of the Compound
| Compound ID |
CP0874874
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| Compound Name |
2-Amino-N,6-dibenzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C22H24ClN3OS
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| Molecular Weight |
413.974
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| Canonical SMILES |
Cl.Nc1sc2c(c1C(=O)NCc1ccccc1)CCN(Cc1ccccc1)C2
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| InChI |
InChI=1S/C22H23N3OS.ClH/c23-21-20(22(26)24-13-16-7-3-1-4-8-16)18-11-12-25(15-19(18)27-21)14-17-9-5-2-6-10-17;/h1-10H,11-15,23H2,(H,24,26);1H
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| InChIKey |
ZJDLQULVJMKNIU-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