General Information of the Compound
| Compound ID |
CP0558397
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| Compound Name |
N-((3R,3aS,9bS)-9b-((4-fluorophenyl)sulfonyl)-7-(perfluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl)methanesulfonamide
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| Structure |
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| Formula |
C23H21F8NO4S2
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| Molecular Weight |
591.542
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| Canonical SMILES |
CS(=O)(=O)N[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
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| InChI |
InChI=1S/C23H21F8NO4S2/c1-37(33,34)32-19-10-11-20(38(35,36)16-6-4-15(24)5-7-16)17-9-3-14(12-13(17)2-8-18(19)20)21(25,22(26,27)28)23(29,30)31/h3-7,9,12,18-19,32H,2,8,10-11H2,1H3/t18-,19+,20+/m0/s1
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| InChIKey |
YRBQTCAXHJRSEO-XUVXKRRUSA-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