General Information of the Compound
| Compound ID |
CP0454453
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| Compound Name |
3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-benzonitrile
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| Structure |
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| Formula |
C18H20N2S
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| Molecular Weight |
296.439
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| Canonical SMILES |
CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1
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| InChIKey |
FLHNFXPLCFJIDJ-MRXNPFEDSA-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor