General Information of the Compound
| Compound ID |
CP0452155
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| Compound Name |
N-[3-(2-methylpyrazol-3-yl)-4-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H24F3N5O3
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| Molecular Weight |
487.482
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| Canonical SMILES |
Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCNC(=O)C1
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| InChI |
InChI=1S/C24H24F3N5O3/c1-31-20(7-8-29-31)19-14-18(30-23(34)16-3-2-4-17(13-16)24(25,26)27)5-6-21(19)35-12-11-32-10-9-28-22(33)15-32/h2-8,13-14H,9-12,15H2,1H3,(H,28,33)(H,30,34)
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| InChIKey |
UQTDTHGIIVZRES-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