General Information of the Compound
| Compound ID |
CP0485407
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| Compound Name |
1-(4-(2-(4-acetylpiperazin-1-yl)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C25H29ClN6O3
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| Molecular Weight |
496.999
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| Canonical SMILES |
CC(=O)N1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
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| InChI |
InChI=1S/C25H29ClN6O3/c1-18(33)32-13-11-31(12-14-32)15-16-35-24-8-7-21(17-22(24)23-9-10-27-30(23)2)29-25(34)28-20-5-3-19(26)4-6-20/h3-10,17H,11-16H2,1-2H3,(H2,28,29,34)
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| InChIKey |
ZEUZXAUGKPYBBW-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C