General Information of the Compound
| Compound ID |
CP0430982
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| Compound Name |
1-(3-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
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| Structure |
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| Formula |
C25H31N5O3
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| Molecular Weight |
449.555
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)c1
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| InChI |
InChI=1S/C25H31N5O3/c1-29-23(11-12-26-29)22-18-20(28-25(31)27-19-7-6-8-21(17-19)32-2)9-10-24(22)33-16-15-30-13-4-3-5-14-30/h6-12,17-18H,3-5,13-16H2,1-2H3,(H2,27,28,31)
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| InChIKey |
NDIKWQNMRLFVIL-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