General Information of the Compound
| Compound ID |
CP0382971
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| Compound Name |
2-(2,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-7H-purine
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| Structure |
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| Formula |
C16H16Cl2N6
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| Molecular Weight |
363.252
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| Canonical SMILES |
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1cc(Cl)ccc1Cl
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| InChI |
InChI=1S/C16H16Cl2N6/c1-23-4-6-24(7-5-23)16-13-15(20-9-19-13)21-14(22-16)11-8-10(17)2-3-12(11)18/h2-3,8-9H,4-7H2,1H3,(H,19,20,21,22)
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| InChIKey |
DASFGALMSCXHMF-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: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3