General Information of the Compound
| Compound ID |
CP0342864
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| Compound Name |
US9216981, 9
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| Structure |
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| Formula |
C23H16F2N8O4S
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| Molecular Weight |
538.496
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C23H16F2N8O4S/c24-15-7-8-16(32-38(36,37)10-13-4-1-2-6-17(13)33(34)35)18(25)20(15)31-22-14(5-3-9-26-22)19-21-23(29-11-27-19)30-12-28-21/h1-9,11-12,32H,10H2,(H,26,31)(H,27,28,29,30)
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| InChIKey |
MAXUDKMCUTVIEB-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