General Information of the Compound
| Compound ID |
CP0299386
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| Compound Name |
7-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2-pyrrolidin-1-yl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H27FN6O
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| Molecular Weight |
410.497
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| Canonical SMILES |
Cn1c(nc2c(CN3CCN(CC3)c3ccc(F)cc3)c[nH]c2c1=O)N1CCCC1
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| InChI |
InChI=1S/C22H27FN6O/c1-26-21(30)20-19(25-22(26)29-8-2-3-9-29)16(14-24-20)15-27-10-12-28(13-11-27)18-6-4-17(23)5-7-18/h4-7,14,24H,2-3,8-13,15H2,1H3
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| InChIKey |
SIMWCYPGUODYMF-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor