General Information of the Compound
| Compound ID |
CP0381532
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| Compound Name |
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-(3,4,5-trifluorophenyl)iminourea
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| Formula |
C22H26F3N5O2
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| Molecular Weight |
449.477
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2cc(F)c(F)c(F)c2)CC1
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| InChI |
InChI=1S/C22H26F3N5O2/c1-32-20-7-3-2-6-19(20)30-12-10-29(11-13-30)9-5-4-8-26-22(31)28-27-16-14-17(23)21(25)18(24)15-16/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,26,31)/b28-27+
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| InChIKey |
PASOWIIUVYLHIV-BYYHNAKLSA-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