General Information of the Compound
| Compound ID |
CP0897714
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| Compound Name |
methyl(2S)-1-(4-(1-isopropyl-3-(2,4,5-trifluoro-3-(methylsulfonamido)phenyl)-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate
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| Structure |
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| Formula |
C22H26F3N7O4S
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| Molecular Weight |
541.556
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| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(F)c(F)c(NS(C)(=O)=O)c2F)n1
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| InChI |
InChI=1S/C22H26F3N7O4S/c1-11(2)32-10-14(16-6-7-26-21(29-16)27-9-12(3)28-22(33)36-4)19(30-32)13-8-15(23)18(25)20(17(13)24)31-37(5,34)35/h6-8,10-12,31H,9H2,1-5H3,(H,28,33)(H,26,27,29)/t12-/m0/s1
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| InChIKey |
LCWPXLBWVNEYIW-LBPRGKRZSA-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