General Information of the Compound
| Compound ID |
CP0940828
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| Compound Name |
2-Methyl-propane-1-sulfonic acid [2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C17H16F2N4O3S
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| Molecular Weight |
394.403
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| Canonical SMILES |
CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
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| InChI |
InChI=1S/C17H16F2N4O3S/c1-9(2)7-27(25,26)23-13-4-3-12(18)14(15(13)19)16(24)10-6-21-17-11(10)5-20-8-22-17/h3-6,8-9,23H,7H2,1-2H3,(H,20,21,22)
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| InChIKey |
AEMCSPSTQZQJSA-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