General Information of the Compound
| Compound ID |
CP0847769
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| Compound Name |
5-Bromo-2-(2-fluoroethoxy)-3-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt
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| Structure |
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| Formula |
C27H33BrFN3O8
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| Molecular Weight |
626.476
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| Canonical SMILES |
COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(Br)cc(OC)c2OCCF)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H31BrFN3O4.C2H2O4/c1-32-22-8-4-3-7-21(22)30-14-12-29(13-15-30)11-6-5-10-28-25(31)20-17-19(26)18-23(33-2)24(20)34-16-9-27;3-1(4)2(5)6/h3-8,17-18H,9-16H2,1-2H3,(H,28,31);(H,3,4)(H,5,6)/b6-5+;
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| InChIKey |
ZYGPAGBLMMIPQG-IPZCTEOASA-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