General Information of the Compound
| Compound ID |
CP0470575
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| Compound Name |
3-[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]phenol
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| Structure |
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| Formula |
C16H18N6O
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| Molecular Weight |
310.361
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| Canonical SMILES |
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1cccc(O)c1
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| InChI |
InChI=1S/C16H18N6O/c1-21-5-7-22(8-6-21)16-13-15(18-10-17-13)19-14(20-16)11-3-2-4-12(23)9-11/h2-4,9-10,23H,5-8H2,1H3,(H,17,18,19,20)
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| InChIKey |
NIPRKUOAYBEEOE-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