General Information of the Compound
| Compound ID |
CP0422010
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| Compound Name |
2-[4-(4-Chloro-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
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| Structure |
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| Formula |
C16H16ClFN4O2
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| Molecular Weight |
350.781
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1[nH]ncc1Cl
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| InChI |
InChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20)
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| InChIKey |
FCJTZKPTETVWTI-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