General Information of the Compound
| Compound ID |
CP0438434
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| Compound Name |
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
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| Structure |
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| Formula |
C25H28ClN3OS
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| Molecular Weight |
454.039
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
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| InChI |
InChI=1S/C25H28ClN3OS/c26-23-4-3-5-24(18-23)29-15-13-28(14-16-29)12-2-1-11-27-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19H,1-2,11-16H2,(H,27,30)
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| InChIKey |
BTQXZESHJSOQFU-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