General Information of the Compound
| Compound ID |
CP0572755
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| Compound Name |
N-[(3R,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-3-yl]-2-hydroxy-N,2-dimethylpropanamide
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| Formula |
C27H27F8NO4S
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| Molecular Weight |
613.567
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| Canonical SMILES |
CN([C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)C(C)(C)O
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| InChI |
InChI=1S/C27H27F8NO4S/c1-23(2,38)22(37)36(3)21-12-13-24(41(39,40)18-8-6-17(28)7-9-18)19-11-5-16(14-15(19)4-10-20(21)24)25(29,26(30,31)32)27(33,34)35/h5-9,11,14,20-21,38H,4,10,12-13H2,1-3H3/t20-,21+,24+/m0/s1
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| InChIKey |
LOECFZWOISFIGD-YZUZCNPQSA-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