General Information of the Compound
| Compound ID |
CP0410732
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| Compound Name |
4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzonitrile
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| Structure |
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| Formula |
C18H19N3O2S
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| Molecular Weight |
341.436
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| Canonical SMILES |
O=C(N1CCN(CCOc2ccc(cc2)C#N)CC1)c1cccs1
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| InChI |
InChI=1S/C18H19N3O2S/c19-14-15-3-5-16(6-4-15)23-12-11-20-7-9-21(10-8-20)18(22)17-2-1-13-24-17/h1-6,13H,7-12H2
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| InChIKey |
DAIXAMHKIKJGHL-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