General Information of the Compound
| Compound ID |
CP0771814
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| Compound Name |
4-(2-(2-(2-Fluoroethoxy)ethoxy)ethoxy)-N-(4-(4-(2-methoxyphenyl)piperazin-1-l)butyl)benzamide oxalic acid salt
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| Structure |
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| Formula |
C30H42FN3O9
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| Molecular Weight |
607.676
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C28H40FN3O5.C2H2O4/c1-34-27-7-3-2-6-26(27)32-17-15-31(16-18-32)14-5-4-13-30-28(33)24-8-10-25(11-9-24)37-23-22-36-21-20-35-19-12-29;3-1(4)2(5)6/h2-3,6-11H,4-5,12-23H2,1H3,(H,30,33);(H,3,4)(H,5,6)
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| InChIKey |
IHRIXUFMCUTSNI-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
Protein ID: PT01161, D(4) dopamine receptor