General Information of the Compound
| Compound ID |
CP0381816
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| Compound Name |
1-(4-fluorophenyl)imino-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea
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| Formula |
C22H28FN5O2
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| Molecular Weight |
413.497
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+
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| InChIKey |
HLWTUGVLYCATKY-OCEACIFDSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor