General Information of the Compound
| Compound ID |
CP0381530
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| Compound Name |
1-(3,4-difluorophenyl)imino-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea
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| Formula |
C22H27F2N5O2
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| Molecular Weight |
431.487
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)c(F)c2)CC1
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| InChI |
InChI=1S/C22H27F2N5O2/c1-31-21-7-3-2-6-20(21)29-14-12-28(13-15-29)11-5-4-10-25-22(30)27-26-17-8-9-18(23)19(24)16-17/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,25,30)/b27-26+
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| InChIKey |
NPWPDDLAKMBGPN-CYYJNZCTSA-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
Protein ID: PT01161, D(4) dopamine receptor