General Information of the Compound
| Compound ID |
CP0059556
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| Compound Name |
N-[4-(5-acetamido-2-propan-2-ylpyrazol-3-yl)-2-(cyclobutylmethoxy)phenyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
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| Structure |
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| Formula |
C27H30ClFN4O3
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| Molecular Weight |
513.013
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| Canonical SMILES |
CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC2CCC2)c1
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| InChI |
InChI=1S/C27H30ClFN4O3/c1-16(2)33-23(14-25(31-33)30-17(3)34)19-11-12-22(24(13-19)36-15-18-7-5-8-18)32(4)27(35)26-20(28)9-6-10-21(26)29/h6,9-14,16,18H,5,7-8,15H2,1-4H3,(H,30,31,34)/i4D3
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| InChIKey |
IYXISBCRUGIJAV-GKOSEXJESA-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