General Information of the Compound
| Compound ID |
CP0540500
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| Compound Name |
(2S,4R,5S)-N-[[3,5-difluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H18F7N5O3S
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| Molecular Weight |
577.482
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| Canonical SMILES |
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1c(F)cnc(c1F)-c1cnc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C23H18F7N5O3S/c1-11-16(25)6-18(35(11)39(37,38)14-4-2-13(24)3-5-14)21(36)32-9-15-17(26)10-31-20(19(15)27)12-7-33-22(34-8-12)23(28,29)30/h2-5,7-8,10-11,16,18H,6,9H2,1H3,(H,32,36)/t11-,16+,18-/m0/s1
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| InChIKey |
RZMBEUPDQABNNP-LSKLOWJMSA-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