General Information of the Compound
| Compound ID |
CP0473952
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| Compound Name |
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-phenylurea
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| Structure |
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| Formula |
C24H29N5O2
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| Molecular Weight |
419.529
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| Canonical SMILES |
Cn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1
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| InChI |
InChI=1S/C24H29N5O2/c1-28-22(12-13-25-28)21-18-20(27-24(30)26-19-8-4-2-5-9-19)10-11-23(21)31-17-16-29-14-6-3-7-15-29/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,26,27,30)
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| InChIKey |
RAHFMWIVAWRIBA-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