General Information of the Compound
| Compound ID |
CP0462996
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| Compound Name |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1-benzofuran-2-yl)acetamide
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| Structure |
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| Formula |
C19H18N2O2S
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| Molecular Weight |
338.432
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| Canonical SMILES |
O=C(CC1Cc2ccccc2O1)Nc1sc2CCCCc2c1C#N
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| InChI |
InChI=1S/C19H18N2O2S/c20-11-15-14-6-2-4-8-17(14)24-19(15)21-18(22)10-13-9-12-5-1-3-7-16(12)23-13/h1,3,5,7,13H,2,4,6,8-10H2,(H,21,22)
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| InChIKey |
SDVNKYKJRQCMIR-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