General Information of the Compound
| Compound ID |
CP0480826
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| Compound Name |
US9434711, 424
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| Structure |
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| Formula |
C23H15F4N5O2S2
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| Molecular Weight |
533.532
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| Canonical SMILES |
Fc1ccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccc(cc2)-c2nnn[nH]2)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H15F4N5O2S2/c24-19-10-5-14(11-18(19)23(25,26)27)13-32(21-12-16-3-1-2-4-20(16)35-21)36(33,34)17-8-6-15(7-9-17)22-28-30-31-29-22/h1-12H,13H2,(H,28,29,30,31)
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| InChIKey |
YZHBRRCJOCEMMA-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