General Information of the Compound
| Compound ID |
CP0965105
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| Compound Name |
(3R,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-N-(trideuteriomethyl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalene-3-carboxamide
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| Formula |
C24H21F8NO3S
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| Molecular Weight |
558.5053053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12
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| InChI |
InChI=1S/C24H21F8NO3S/c1-33-20(34)17-10-11-21(37(35,36)16-6-4-15(25)5-7-16)18-9-3-14(12-13(18)2-8-19(17)21)22(26,23(27,28)29)24(30,31)32/h3-7,9,12,17,19H,2,8,10-11H2,1H3,(H,33,34)/t17-,19+,21-/m1/s1/i1D3
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| InChIKey |
XBAKNTZJMPFBQQ-HHIQWLPESA-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