General Information of the Compound
| Compound ID |
CP0299382
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| Compound Name |
2-(dimethylamino)-6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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| Structure |
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| Formula |
C20H26N6O2
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| Molecular Weight |
382.468
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cc3c(nc([nH]c3=O)N(C)C)[nH]2)CC1
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| InChI |
InChI=1S/C20H26N6O2/c1-24(2)20-22-18-15(19(27)23-20)12-14(21-18)13-25-8-10-26(11-9-25)16-6-4-5-7-17(16)28-3/h4-7,12H,8-11,13H2,1-3H3,(H2,21,22,23,27)
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| InChIKey |
OIAXKPXJNIOPBF-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