General Information of the Compound
| Compound ID |
CP0881177
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| Compound Name |
4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}benzamide
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| Structure |
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| Formula |
C27H31FN4O2
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| Molecular Weight |
461.571938
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc([18F])nc3)cc2)CC1
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| InChI |
InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)/i28-1
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| InChIKey |
XWRCSVSWZWMHPY-GLOFJIOZSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor