General Information of the Compound
| Compound ID |
CP0858090
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| Compound Name |
1-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-phenyl-pyrrole-2,5-dione oxalic acid
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| Structure |
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| Formula |
C27H31N3O7
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| Molecular Weight |
509.559
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2C(=O)C=C(c3ccccc3)C2=O)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H29N3O3.C2H2O4/c1-31-23-12-6-5-11-22(23)27-17-15-26(16-18-27)13-7-8-14-28-24(29)19-21(25(28)30)20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12,19H,7-8,13-18H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
IDLLRKLCRRBGTJ-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