General Information of the Compound
| Compound ID |
CP0435437
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| Compound Name |
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
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| Structure |
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| Formula |
C26H31N3OS
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| Molecular Weight |
433.621
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| Canonical SMILES |
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
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| InChI |
InChI=1S/C26H31N3OS/c1-21-5-4-6-25(19-21)29-16-14-28(15-17-29)13-3-2-12-27-26(30)23-9-7-22(8-10-23)24-11-18-31-20-24/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)
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| InChIKey |
YSHFOVKURWTKBI-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