General Information of the Compound
| Compound ID |
CP0334329
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| Compound Name |
3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
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| Structure |
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| Formula |
C25H21ClFNO2S
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| Molecular Weight |
453.966
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| Canonical SMILES |
COCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cc(F)cc(Cl)c3)sc12
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| InChI |
InChI=1S/C25H21ClFNO2S/c1-30-9-8-28-25(29)19-6-2-4-17(13-19)23-7-3-5-18-14-22(31-24(18)23)12-16-10-20(26)15-21(27)11-16/h2-7,10-11,13-15H,8-9,12H2,1H3,(H,28,29)
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| InChIKey |
YNXYTOJEFCKHEM-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