General Information of the Compound
| Compound ID |
CP0916147
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| Compound Name |
2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-isoindole-1,3-dione oxalic acid
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| Structure |
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| Formula |
C24H27N3O7
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| Molecular Weight |
469.494
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C22H25N3O3.C2H2O4/c1-28-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21(26)17-7-2-3-8-18(17)22(25)27;3-1(4)2(5)6/h2-5,7-10H,6,11-16H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
CYJSKRQQVNFOIJ-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