General Information of the Compound
| Compound ID |
CP0145225
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| Compound Name |
CHEMBL4476167
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| Formula |
C22H33F3N4O4S
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| Molecular Weight |
506.591
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| Canonical SMILES |
FC(F)(F)CCCN[C@H]1CC[C@@H](CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
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| InChI |
InChI=1S/C22H33F3N4O4S/c23-22(24,25)10-1-11-26-16-4-6-18(7-5-16)34(31,32)29-12-8-17(9-13-29)27-21(30)19-14-20(33-28-19)15-2-3-15/h14-18,26H,1-13H2,(H,27,30)/t16-,18-
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| InChIKey |
JUIJVVAAYOHJLW-SAABIXHNSA-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