General Information of the Compound
| Compound ID |
CP0479742
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| Compound Name |
(2-Amino-6-benzyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-3-yl)-(4-chloro-phenyl)-methanone
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| Structure |
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| Formula |
C21H19ClN2OS
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| Molecular Weight |
382.916
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| Canonical SMILES |
Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H19ClN2OS/c22-16-8-6-15(7-9-16)20(25)19-17-10-11-24(13-18(17)26-21(19)23)12-14-4-2-1-3-5-14/h1-9H,10-13,23H2
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| InChIKey |
LUEXTQZEWNFRIZ-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