General Information of the Compound
| Compound ID |
CP0741062
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| Compound Name |
Methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate
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| Structure |
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| Formula |
C19H21ClFN7O4S
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| Molecular Weight |
497.94
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| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(-c2c[nH]nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
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| InChI |
InChI=1S/C19H21ClFN7O4S/c1-10(25-19(29)32-2)8-23-18-22-5-4-14(26-18)13-9-24-27-17(13)12-6-11(20)7-15(16(12)21)28-33(3,30)31/h4-7,9-10,28H,8H2,1-3H3,(H,24,27)(H,25,29)(H,22,23,26)/t10-/m0/s1
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| InChIKey |
WOXRHSRZAMPSON-JTQLQIEISA-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