General Information of the Compound
| Compound ID |
CP0166953
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| Compound Name |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide
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| Structure |
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| Formula |
C17H16N2OS
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| Molecular Weight |
296.395
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| Canonical SMILES |
O=C(Cc1ccccc1)Nc1sc2CCCCc2c1C#N
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| InChI |
InChI=1S/C17H16N2OS/c18-11-14-13-8-4-5-9-15(13)21-17(14)19-16(20)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,19,20)
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| InChIKey |
XAECXGNGYGUEJS-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