General Information of the Compound
| Compound ID |
CP0248815
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| Compound Name |
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-7H-pteridin-6-one
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| Structure |
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| Formula |
C21H19FN8O
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| Molecular Weight |
418.436
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| Canonical SMILES |
CCC1N(c2ccn[nH]2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H19FN8O/c1-3-15-20(31)28(2)16-12-24-21(26-19(16)30(15)17-8-9-25-27-17)29-11-10-23-18(29)13-4-6-14(22)7-5-13/h4-12,15H,3H2,1-2H3,(H,25,27)
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| InChIKey |
QCJIMVKECGDPPA-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