General Information of the Compound
| Compound ID |
CP0180469
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| Compound Name |
2-anilino-7-[(1R)-2,2-difluoro-1-phenylethyl]-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C22H20F2N4O
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| Molecular Weight |
394.425
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| Canonical SMILES |
CC1(C)C(=O)N([C@@H](C(F)F)c2ccccc2)c2nc(Nc3ccccc3)ncc12
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| InChI |
InChI=1S/C22H20F2N4O/c1-22(2)16-13-25-21(26-15-11-7-4-8-12-15)27-19(16)28(20(22)29)17(18(23)24)14-9-5-3-6-10-14/h3-13,17-18H,1-2H3,(H,25,26,27)/t17-/m1/s1
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| InChIKey |
HUHRXBBSMSZINZ-QGZVFWFLSA-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