General Information of the Compound
| Compound ID |
CP0868050
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| Compound Name |
2-Amino-6-benzyl-N-(3-(trifluoromethyl)benzyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C23H23ClF3N3OS
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| Molecular Weight |
481.971
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| Canonical SMILES |
Cl.Nc1sc2c(c1C(=O)NCc1cccc(C(F)(F)F)c1)CCN(Cc1ccccc1)C2
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| InChI |
InChI=1S/C23H22F3N3OS.ClH/c24-23(25,26)17-8-4-7-16(11-17)12-28-22(30)20-18-9-10-29(14-19(18)31-21(20)27)13-15-5-2-1-3-6-15;/h1-8,11H,9-10,12-14,27H2,(H,28,30);1H
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| InChIKey |
PRKHYSKRZQQGHR-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