General Information of the Compound
| Compound ID |
CP0214717
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| Compound Name |
US9216981, 26
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| Structure |
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| Formula |
C22H14F5N7O3S
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| Molecular Weight |
551.457
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| Canonical SMILES |
Cc1cc(c(o1)C(F)(F)F)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C22H14F5N7O3S/c1-10-7-14(19(37-10)22(25,26)27)38(35,36)34-13-5-4-12(23)17(15(13)24)33-20-11(3-2-6-28-20)16-18-21(31-8-29-16)32-9-30-18/h2-9,34H,1H3,(H,28,33)(H,29,30,31,32)
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| InChIKey |
AAADXMXYZRUUBD-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