General Information of the Compound
| Compound ID |
CP0561397
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| Compound Name |
(2S,4R,5S)-N-[[2-cyclopropyl-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C25H23F5N6O3S
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| Molecular Weight |
582.555
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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(nc(n1)C1CC1)-c1cnc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C25H23F5N6O3S/c1-13-19(27)9-21(36(13)40(38,39)18-6-4-16(26)5-7-18)23(37)31-12-17-8-20(35-22(34-17)14-2-3-14)15-10-32-24(33-11-15)25(28,29)30/h4-8,10-11,13-14,19,21H,2-3,9,12H2,1H3,(H,31,37)/t13-,19+,21-/m0/s1
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| InChIKey |
MDZCDAYNNUPZDO-NQZBTDCJSA-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