General Information of the Compound
| Compound ID |
CP0520066
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| Compound Name |
5-((4-(Difluoromethyl)-2,2-difluoro-3-hydroxy-1,1- dioxido-2,3-dihydrobenzo[b]thiophen-5- yl)oxy)nicotinonitrile
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| Structure |
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| Formula |
C15H8F4N2O4S
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| Molecular Weight |
388.298
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| Canonical SMILES |
OC1c2c(ccc(Oc3cncc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
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| InChI |
InChI=1S/C15H8F4N2O4S/c16-14(17)11-9(25-8-3-7(4-20)5-21-6-8)1-2-10-12(11)13(22)15(18,19)26(10,23)24/h1-3,5-6,13-14,22H
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| InChIKey |
ASNDCRBLPOKXJR-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