General Information of the Compound
| Compound ID |
CP0284691
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| Compound Name |
US9216981, 31
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| Structure |
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| Formula |
C23H17F2N7O2S
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| Molecular Weight |
493.499
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| Canonical SMILES |
Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C23H17F2N7O2S/c1-13-5-2-3-7-17(13)35(33,34)32-16-9-8-15(24)20(18(16)25)31-22-14(6-4-10-26-22)19-21-23(29-11-27-19)30-12-28-21/h2-12,32H,1H3,(H,26,31)(H,27,28,29,30)
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| InChIKey |
YREQTIVVMCLZJB-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