General Information of the Compound
| Compound ID |
CP0545729
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| Compound Name |
(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H20F5N5O3S
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| Molecular Weight |
541.502
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| Canonical SMILES |
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F5N5O3S/c1-13-18(25)9-20(33(13)37(35,36)17-5-3-15(24)4-6-17)22(34)30-11-16-8-19(32-12-31-16)14-2-7-21(29-10-14)23(26,27)28/h2-8,10,12-13,18,20H,9,11H2,1H3,(H,30,34)/t13-,18+,20-/m0/s1
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| InChIKey |
BTGRJSKXOVCJGC-VIZZQPHQSA-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