General Information of the Compound
| Compound ID |
CP0440449
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| Compound Name |
5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
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| Structure |
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| Formula |
C20H26IN3O2S
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| Molecular Weight |
499.418
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
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| InChI |
InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
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| InChIKey |
HBYKTDPONPUZPO-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor