General Information of the Compound
| Compound ID |
CP0535639
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| Compound Name |
US8802721, 3
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| Structure |
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| Formula |
C20H15F2NO3S
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| Molecular Weight |
387.407
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| Canonical SMILES |
COC(=O)c1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C20H15F2NO3S/c1-11-6-7-12(20(25)26-2)10-13(11)16-8-9-17(27-16)19(24)23-18-14(21)4-3-5-15(18)22/h3-10H,1-2H3,(H,23,24)
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| InChIKey |
CYEJEUFHAKJVMF-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