General Information of the Compound
| Compound ID |
CP0513532
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| Compound Name |
N-(4-bromo-1H-pyrazol-5-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C16H19BrFN5O
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| Molecular Weight |
396.264
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| Canonical SMILES |
Fc1ccc(CCN2CCN(CC2)C(=O)Nc2[nH]ncc2Br)cc1
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| InChI |
InChI=1S/C16H19BrFN5O/c17-14-11-19-21-15(14)20-16(24)23-9-7-22(8-10-23)6-5-12-1-3-13(18)4-2-12/h1-4,11H,5-10H2,(H2,19,20,21,24)
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| InChIKey |
UGJXHJIPJBYGQQ-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