General Information of the Compound
| Compound ID |
CP0392475
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| Compound Name |
5-Iodo-benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
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| Structure |
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| Formula |
C23H24Cl2IN3OS
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| Molecular Weight |
588.342
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4s3)CC2)c1Cl
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| InChI |
InChI=1S/C23H24Cl2IN3OS/c24-18-4-3-5-19(22(18)25)29-12-10-28(11-13-29)9-2-1-8-27-23(30)21-15-16-14-17(26)6-7-20(16)31-21/h3-7,14-15H,1-2,8-13H2,(H,27,30)
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| InChIKey |
PKBFRDZADXJQRC-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