General Information of the Compound
| Compound ID |
CP0456878
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| Compound Name |
2-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide
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| Structure |
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| Formula |
C22H28IN3O2
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| Molecular Weight |
493.389
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2I)CC1
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| InChI |
InChI=1S/C22H28IN3O2/c1-28-21-11-5-4-10-20(21)26-16-14-25(15-17-26)13-7-6-12-24-22(27)18-8-2-3-9-19(18)23/h2-5,8-11H,6-7,12-17H2,1H3,(H,24,27)
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| InChIKey |
BRNFEWAEDMSDHL-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