General Information of the Compound
| Compound ID |
CP0416140
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| Compound Name |
9-(3-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C22H20F2N6O
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| Molecular Weight |
422.439
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| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3ccccc3F)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C22H20F2N6O/c23-16-5-3-6-17(12-16)30-14-26-19-20(25-13-15-4-1-2-7-18(15)24)27-22(28-21(19)30)29-8-10-31-11-9-29/h1-7,12,14H,8-11,13H2,(H,25,27,28)
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| InChIKey |
FIJMFYWTLJEQBB-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