General Information of the Compound
| Compound ID |
CP0467471
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| Compound Name |
N-[3-(4-chloro-2-methylpyrazol-3-yl)-4-methoxyphenyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C24H27ClFN5O2
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| Molecular Weight |
471.964
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| Canonical SMILES |
COc1ccc(NC(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C
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| InChI |
InChI=1S/C24H27ClFN5O2/c1-29-23(21(25)16-27-29)20-15-19(7-8-22(20)33-2)28-24(32)31-13-11-30(12-14-31)10-9-17-3-5-18(26)6-4-17/h3-8,15-16H,9-14H2,1-2H3,(H,28,32)
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| InChIKey |
XKHWMPOANMCBHS-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