General Information of the Compound
| Compound ID |
CP0553148
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| Compound Name |
CHEMBL4525262
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| Formula |
C22H26F4N2O5S
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| Molecular Weight |
506.518
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@@]2(CC1)CC(F)(F)CCO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C22H26F4N2O5S/c1-13(32-15-3-5-21(6-4-15)12-22(25,26)7-8-31-21)20-27-19(28-33-20)14-9-17(23)16(18(24)10-14)11-34(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3/t13-,15-,21+/m1/s1
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| InChIKey |
FZYMWRCQGMEISN-VWLHBSKXSA-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