General Information of the Compound
| Compound ID |
CP0073286
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| Compound Name |
6-[5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C25H33N7O3
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| Molecular Weight |
479.585
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| Canonical SMILES |
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCCN1CCN(CC1)c1ccccc1O
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| InChI |
InChI=1S/C25H33N7O3/c1-18-17-32-21-22(27(2)25(35)28(3)23(21)34)26-24(32)31(18)12-8-4-7-11-29-13-15-30(16-14-29)19-9-5-6-10-20(19)33/h5-6,9-10,17,33H,4,7-8,11-16H2,1-3H3
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| InChIKey |
YGBMXSHDMFFOBA-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor