General Information of the Compound
| Compound ID |
CP0558396
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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]-1-methylsulfonylpiperidin-4-amine
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| Formula |
C28H30F8N2O4S2
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| Molecular Weight |
674.676
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)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/C28H30F8N2O4S2/c1-43(39,40)38-14-11-20(12-15-38)37-24-10-13-25(44(41,42)21-6-4-19(29)5-7-21)22-9-3-18(16-17(22)2-8-23(24)25)26(30,27(31,32)33)28(34,35)36/h3-7,9,16,20,23-24,37H,2,8,10-15H2,1H3/t23-,24+,25+/m0/s1
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| InChIKey |
NOVVQYRXOGCBJM-ISJGIBHGSA-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