General Information of the Compound
| Compound ID |
CP0391044
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| Compound Name |
4-thiophen-3-yl-N-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C26H28F3N3OS
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| Molecular Weight |
487.591
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
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| InChI |
InChI=1S/C26H28F3N3OS/c27-26(28,29)23-7-9-24(10-8-23)32-16-14-31(15-17-32)13-2-1-12-30-25(33)21-5-3-20(4-6-21)22-11-18-34-19-22/h3-11,18-19H,1-2,12-17H2,(H,30,33)
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| InChIKey |
BUJDRHDSUWKHNQ-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