General Information of the Compound
| Compound ID |
CP0843601
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| Compound Name |
4-tert-Butyl-N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-benzenesulfonamide
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| Structure |
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| Formula |
C23H20F2N4O3S
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| Molecular Weight |
470.501
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| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncncc34)c2F)cc1
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| InChI |
InChI=1S/C23H20F2N4O3S/c1-23(2,3)13-4-6-14(7-5-13)33(31,32)29-18-9-8-17(24)19(20(18)25)21(30)15-11-27-22-16(15)10-26-12-28-22/h4-12,29H,1-3H3,(H,26,27,28)
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| InChIKey |
PXAHDRNJXPSAOM-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