General Information of the Compound
| Compound ID |
CP0519816
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| Compound Name |
9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)purin-6-amine
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| Structure |
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| Formula |
C21H20FN7O
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| Molecular Weight |
405.437
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| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3cccnc3)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C21H20FN7O/c22-16-4-1-5-17(11-16)29-14-25-18-19(24-13-15-3-2-6-23-12-15)26-21(27-20(18)29)28-7-9-30-10-8-28/h1-6,11-12,14H,7-10,13H2,(H,24,26,27)
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| InChIKey |
NZIBSYGQUBOMCS-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