General Information of the Compound
| Compound ID |
CP0388368
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| Compound Name |
4-(phenylethynyl)-N-(thiophen-3-ylmethyl)benzamide
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| Structure |
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| Formula |
C20H15NOS
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| Molecular Weight |
317.413
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| Canonical SMILES |
O=C(NCc1ccsc1)c1ccc(cc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H15NOS/c22-20(21-14-18-12-13-23-15-18)19-10-8-17(9-11-19)7-6-16-4-2-1-3-5-16/h1-5,8-13,15H,14H2,(H,21,22)
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| InChIKey |
MCEHEJBDJPHMDU-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