General Information of the Compound
| Compound ID |
CP0434814
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| Compound Name |
CHEMBL4450117
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| Formula |
C21H24F4N2O5S
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| Molecular Weight |
492.491
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@]2(CC(F)(F)CO2)CC1)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C21H24F4N2O5S/c1-12(31-14-3-5-20(6-4-14)10-21(24,25)11-30-20)19-26-18(27-32-19)13-7-16(22)15(17(23)8-13)9-33(2,28)29/h7-8,12,14H,3-6,9-11H2,1-2H3/t12-,14-,20+/m1/s1
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| InChIKey |
IZJFKBJSGCVADR-ZGLRSVDFSA-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