General Information of the Compound
| Compound ID |
CP0531153
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| Compound Name |
(1S,4R)-7,7-dimethyl-1-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
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| Structure |
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| Formula |
C19H25F3N4O3S
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| Molecular Weight |
446.495
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(F)(F)F)C(=O)C2
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| InChI |
InChI=1S/C19H25F3N4O3S/c1-17(2)13-5-6-18(17,15(27)11-13)12-30(28,29)26-9-7-25(8-10-26)16-4-3-14(23-24-16)19(20,21)22/h3-4,13H,5-12H2,1-2H3/t13-,18-/m1/s1
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| InChIKey |
VOTQKPSOHQUIPE-FZKQIMNGSA-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