General Information of the Compound
| Compound ID |
CP0521318
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| Compound Name |
CHEMBL4467856
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| Formula |
C22H29FN2O5S
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| Molecular Weight |
452.548
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| Canonical SMILES |
CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(c(F)c1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H29FN2O5S/c1-14(29-16-7-9-22(10-8-16)12-21(2,3)28-13-22)20-24-19(25-30-20)15-5-6-18(17(23)11-15)31(4,26)27/h5-6,11,14,16H,7-10,12-13H2,1-4H3/t14?,16-,22+
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| InChIKey |
FTMYHLQRBRBVKX-UOOZRTQDSA-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