General Information of the Compound
| Compound ID |
CP0528613
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| Compound Name |
N-[3-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C18H22N2O3S
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| Molecular Weight |
346.452
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| Canonical SMILES |
CCN(CC)C(=O)c1c(NC(=O)c2ccco2)sc2CCCCc12
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| InChI |
InChI=1S/C18H22N2O3S/c1-3-20(4-2)18(22)15-12-8-5-6-10-14(12)24-17(15)19-16(21)13-9-7-11-23-13/h7,9,11H,3-6,8,10H2,1-2H3,(H,19,21)
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| InChIKey |
XZYYNCKUBGLIAR-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