General Information of the Compound
| Compound ID |
CP0556991
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| Compound Name |
US9067935, 113
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| Structure |
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| Formula |
C23H16ClF3N3NaO5S
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| Molecular Weight |
561.901
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| Canonical SMILES |
Cc1c(nc2ccc(Cl)cn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C23H17ClF3N3O5S.Na/c1-14-21(28-20-11-6-17(24)13-29(14)20)30(12-15-2-7-18(8-3-15)35-23(25,26)27)36(33,34)19-9-4-16(5-10-19)22(31)32;/h2-11,13H,12H2,1H3,(H,31,32);/q;+1/p-1
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| InChIKey |
FUJZDZQASXAJGY-UHFFFAOYSA-M
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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