General Information of the Compound
| Compound ID |
CP0554781
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
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| Structure |
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| Formula |
C25H27Cl2N3OS
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| Molecular Weight |
488.484
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c1Cl
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| InChI |
InChI=1S/C25H27Cl2N3OS/c26-22-4-3-5-23(24(22)27)30-15-13-29(14-16-30)12-2-1-11-28-25(31)20-8-6-19(7-9-20)21-10-17-32-18-21/h3-10,17-18H,1-2,11-16H2,(H,28,31)
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| InChIKey |
JKWVNBLZWDOXPU-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