General Information of the Compound
| Compound ID |
CP0923151
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| Compound Name |
Methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(oxan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate
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| Structure |
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| Formula |
C24H29ClFN7O5S
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| Molecular Weight |
582.058
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| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C3CCCCO3)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
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| InChI |
InChI=1S/C24H29ClFN7O5S/c1-14(29-24(34)37-2)12-28-23-27-8-7-18(30-23)17-13-33(20-6-4-5-9-38-20)31-22(17)16-10-15(25)11-19(21(16)26)32-39(3,35)36/h7-8,10-11,13-14,20,32H,4-6,9,12H2,1-3H3,(H,29,34)(H,27,28,30)/t14-,20?/m0/s1
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| InChIKey |
RPKHXXHDQCZMJE-PVCZSOGJSA-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