General Information of the Compound
| Compound ID |
CP0919433
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| Compound Name |
methyl(2S)-1-(4-(3-(3-chloro-2-(methylsulfonamido)pyridin-4-yl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate
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| Structure |
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| Formula |
C21H27ClN8O4S
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| Molecular Weight |
523.019
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| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2ccnc(NS(C)(=O)=O)c2Cl)n1
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| InChI |
InChI=1S/C21H27ClN8O4S/c1-12(2)30-11-15(16-7-9-24-20(27-16)25-10-13(3)26-21(31)34-4)18(28-30)14-6-8-23-19(17(14)22)29-35(5,32)33/h6-9,11-13H,10H2,1-5H3,(H,23,29)(H,26,31)(H,24,25,27)/t13-/m0/s1
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| InChIKey |
OYJJSQKATCWOOM-ZDUSSCGKSA-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