General Information of the Compound
| Compound ID |
CP0218263
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| Compound Name |
US9216981, 42
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| Structure |
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| Formula |
C25H18F2N8O2S
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| Molecular Weight |
532.536
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| Canonical SMILES |
Cn1ccc2cccc(c12)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C25H18F2N8O2S/c1-35-11-9-14-4-2-6-18(23(14)35)38(36,37)34-17-8-7-16(26)21(19(17)27)33-24-15(5-3-10-28-24)20-22-25(31-12-29-20)32-13-30-22/h2-13,34H,1H3,(H,28,33)(H,29,30,31,32)
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| InChIKey |
PLBMBARKUQBUQN-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