General Information of the Compound
| Compound ID |
CP0558859
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| Compound Name |
6-[(5-ethylsulfonylpyridin-2-yl)methylamino]-2-(4-fluoro-2-methylphenyl)-8-propan-2-ylpteridin-7-one
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| Formula |
C24H25FN6O3S
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| Molecular Weight |
496.568
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2ccc(F)cc2C)nc1
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| InChI |
InChI=1S/C24H25FN6O3S/c1-5-35(33,34)18-8-7-17(26-12-18)11-27-22-24(32)31(14(2)3)23-20(29-22)13-28-21(30-23)19-9-6-16(25)10-15(19)4/h6-10,12-14H,5,11H2,1-4H3,(H,27,29)
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| InChIKey |
JCBCPWWVVFHGLU-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