General Information of the Compound
| Compound ID |
CP0516190
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| Compound Name |
US9216981, 10
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| Structure |
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| Formula |
C24H19F2N7O4S
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| Molecular Weight |
539.524
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C24H19F2N7O4S/c1-36-17-8-5-13(10-18(17)37-2)38(34,35)33-16-7-6-15(25)21(19(16)26)32-23-14(4-3-9-27-23)20-22-24(30-11-28-20)31-12-29-22/h3-12,33H,1-2H3,(H,27,32)(H,28,29,30,31)
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| InChIKey |
KTMMOPBQRGMNBC-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