General Information of the Compound
| Compound ID |
CP0214720
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| Compound Name |
US9216981, 44
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| Structure |
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| Formula |
C20H12ClF2N7O2S2
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| Molecular Weight |
519.946
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C20H12ClF2N7O2S2/c21-13-5-6-14(33-13)34(31,32)30-12-4-3-11(22)17(15(12)23)29-19-10(2-1-7-24-19)16-18-20(27-8-25-16)28-9-26-18/h1-9,30H,(H,24,29)(H,25,26,27,28)
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| InChIKey |
GNIBUZPNXORXMI-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