General Information of the Compound
| Compound ID |
CP0483989
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| Compound Name |
US9212182, 353
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| Structure |
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| Formula |
C24H16ClFN4O4S2
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| Molecular Weight |
543.001
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| Canonical SMILES |
COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
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| InChI |
InChI=1S/C24H16ClFN4O4S2/c1-34-22-11-18(14-3-2-4-16(26)9-14)19(25)12-21(22)30-20-7-6-17(10-15(20)5-8-23(30)31)36(32,33)29-24-28-27-13-35-24/h2-13H,1H3,(H,28,29)
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| InChIKey |
OAYPMTXLKCJCGV-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