General Information of the Compound
| Compound ID |
CP0506482
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| Compound Name |
1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(4-hydroxyphenyl)urea
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| Structure |
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| Formula |
C23H26BrN5O3
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| Molecular Weight |
500.397
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| Canonical SMILES |
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(O)cc2)ccc1OCCN1CCCC1
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| InChI |
InChI=1S/C23H26BrN5O3/c1-28-22(20(24)15-25-28)19-14-17(27-23(31)26-16-4-7-18(30)8-5-16)6-9-21(19)32-13-12-29-10-2-3-11-29/h4-9,14-15,30H,2-3,10-13H2,1H3,(H2,26,27,31)
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| InChIKey |
YOPJNLVWTQHFHK-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