General Information of the Compound
| Compound ID |
CP0316181
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| Compound Name |
3-Methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)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 |
C21H27N7O
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| Molecular Weight |
393.495
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| Canonical SMILES |
Cn1c(nc2c(CN3CCN(CC3)c3ccccn3)c[nH]c2c1=O)N1CCCC1
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| InChI |
InChI=1S/C21H27N7O/c1-25-20(29)19-18(24-21(25)28-8-4-5-9-28)16(14-23-19)15-26-10-12-27(13-11-26)17-6-2-3-7-22-17/h2-3,6-7,14,23H,4-5,8-13,15H2,1H3
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| InChIKey |
ILONWIHGXYVYRK-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