General Information of the Compound
| Compound ID |
CP0944627
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| Compound Name |
(3R,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-N,N-bis(trideuteriomethyl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalene-3-carboxamide
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| Formula |
C25H23F8NO3S
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| Molecular Weight |
575.5506107
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=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)C([2H])([2H])[2H]
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| InChI |
InChI=1S/C25H23F8NO3S/c1-34(2)21(35)18-11-12-22(38(36,37)17-7-5-16(26)6-8-17)19-10-4-15(13-14(19)3-9-20(18)22)23(27,24(28,29)30)25(31,32)33/h4-8,10,13,18,20H,3,9,11-12H2,1-2H3/t18-,20+,22-/m1/s1/i1D3,2D3
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| InChIKey |
PLVOSTSJRBASBA-XGADJEBGSA-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