General Information of the Compound
| Compound ID |
CP0456771
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| Compound Name |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)propanamide
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| Structure |
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| Formula |
C19H20N2O2S
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| Molecular Weight |
340.448
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| Canonical SMILES |
COc1ccc(CCC(=O)Nc2sc3CCCCc3c2C#N)cc1
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| InChI |
InChI=1S/C19H20N2O2S/c1-23-14-9-6-13(7-10-14)8-11-18(22)21-19-16(12-20)15-4-2-3-5-17(15)24-19/h6-7,9-10H,2-5,8,11H2,1H3,(H,21,22)
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| InChIKey |
PZXFGPXLLSGRSI-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