General Information of the Compound
| Compound ID |
CP0429608
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| Compound Name |
ACP-103
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| Synonyms |
1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidyl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
AC-5273
I14-1981
Pimavanserin
ST51054136
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| Structure |
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| Formula |
C25H34FN3O2
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| Molecular Weight |
427.564
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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| InChIKey |
RKEWSXXUOLRFBX-UHFFFAOYSA-N
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| CAS |
706779-91-1
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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
Cell-based Assay
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound