General Information of the Compound
| Compound ID |
CP0845876
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| Compound Name |
3-Furan-2-yl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide oxalic acid
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| Structure |
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| Formula |
C24H31N3O7
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| Molecular Weight |
473.526
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccco2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C22H29N3O3.C2H2O4/c1-27-21-9-3-2-8-20(21)25-16-14-24(15-17-25)13-5-4-12-23-22(26)11-10-19-7-6-18-28-19;3-1(4)2(5)6/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,23,26);(H,3,4)(H,5,6)/b11-10+;
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| InChIKey |
PVXZQJVSEPFFSX-ASTDGNLGSA-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