General Information of the Compound
| Compound ID |
CP0130855
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| Compound Name |
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluoroindazol-1-yl]methyl]phenyl]methyl]acetamide
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| Structure |
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| Formula |
C21H18ClFN4O3S2
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| Molecular Weight |
492.985
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| Canonical SMILES |
CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(F)cccc23)c1
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| InChI |
InChI=1S/C21H18ClFN4O3S2/c1-13(28)24-11-14-4-2-5-15(10-14)12-27-17-7-3-6-16(23)20(17)21(25-27)26-32(29,30)19-9-8-18(22)31-19/h2-10H,11-12H2,1H3,(H,24,28)(H,25,26)
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| InChIKey |
LCRWPEATRURWFI-UHFFFAOYSA-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