General Information of the Compound
| Compound ID |
CP0916109
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| Compound Name |
3-Iodo-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-benzamide oxalic acid
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| Structure |
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| Formula |
C23H28IN3O6
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| Molecular Weight |
569.396
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)c2cccc(I)c2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C21H26IN3O2.C2H2O4/c1-27-20-9-3-2-8-19(20)25-14-12-24(13-15-25)11-5-10-23-21(26)17-6-4-7-18(22)16-17;3-1(4)2(5)6/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26);(H,3,4)(H,5,6)
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| InChIKey |
FQFAEOHBSDKUHF-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