General Information of the Compound
| Compound ID |
CP0459500
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| Compound Name |
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-methyl-N-[2-[methyl-[5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]methanesulfonamide
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| Structure |
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| Formula |
C20H28F3N3O3S
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| Molecular Weight |
447.523
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| Canonical SMILES |
CN(CCN(C)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C20H28F3N3O3S/c1-18(2)14-7-8-19(18,16(27)11-14)13-30(28,29)26(4)10-9-25(3)17-6-5-15(12-24-17)20(21,22)23/h5-6,12,14H,7-11,13H2,1-4H3/t14-,19-/m1/s1
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| InChIKey |
TXLTUHDWULHKNP-AUUYWEPGSA-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