General Information of the Compound
| Compound ID |
CP0800232
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| Compound Name |
5-ethynyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
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| Structure |
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| Formula |
C26H29N3O2S
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| Molecular Weight |
447.604
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| Canonical SMILES |
C#Cc1ccc2sc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2c1
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| InChI |
InChI=1S/C26H29N3O2S/c1-3-20-10-11-24-21(18-20)19-25(32-24)26(30)27-12-6-7-13-28-14-16-29(17-15-28)22-8-4-5-9-23(22)31-2/h1,4-5,8-11,18-19H,6-7,12-17H2,2H3,(H,27,30)
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| InChIKey |
RFLFOJAXSFSCDA-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
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor