General Information of the Compound
| Compound ID |
CP0535116
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| Compound Name |
2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone O-Methyloxime
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| Structure |
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| Formula |
C18H21BrFN5O2
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| Molecular Weight |
438.301
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| Canonical SMILES |
CO\N=C(\CN1CCN(CC1)C(=O)c1nn(C)cc1Br)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H21BrFN5O2/c1-23-11-15(19)17(21-23)18(26)25-9-7-24(8-10-25)12-16(22-27-2)13-3-5-14(20)6-4-13/h3-6,11H,7-10,12H2,1-2H3/b22-16-
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| InChIKey |
FDUKUFJFCLLMNB-JWGURIENSA-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