General Information of the Compound
| Compound ID |
CP0513025
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| Compound Name |
N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyridin-2-yl]-2-(2,4-difluorophenyl)acetamide
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| Formula |
C23H20F2N6O2
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| Molecular Weight |
450.449
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| Canonical SMILES |
CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cc3F)c2)c2c(N)ncnc12
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| InChI |
InChI=1S/C23H20F2N6O2/c1-12(2)31-10-16(20-22(26)28-11-29-23(20)31)21(33)14-5-6-27-18(7-14)30-19(32)8-13-3-4-15(24)9-17(13)25/h3-7,9-12H,8H2,1-2H3,(H2,26,28,29)(H,27,30,32)
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| InChIKey |
FNPNYIOGZAWVSD-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