General Information of the Compound
| Compound ID |
CP0129312
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| Compound Name |
US9216981, 24
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| Structure |
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| Formula |
C23H17F2N7O5S
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| Molecular Weight |
541.496
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2occc2C2OCCO2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C23H17F2N7O5S/c24-14-3-4-15(32-38(33,34)23-13(5-7-37-23)22-35-8-9-36-22)16(25)18(14)31-20-12(2-1-6-26-20)17-19-21(29-10-27-17)30-11-28-19/h1-7,10-11,22,32H,8-9H2,(H,26,31)(H,27,28,29,30)
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| InChIKey |
FSKBDHVRFZLKSB-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