General Information of the Compound
| Compound ID |
CP0903544
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| Compound Name |
3-(4-fluorophenyl)-N-[(1R)-1-{4-[(methoxycarbamoyl)methanesulfonyl]phenyl}ethyl]-1-methyl-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C22H23FN4O5S
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| Molecular Weight |
474.514
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| Canonical SMILES |
CONC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1
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| InChI |
InChI=1S/C22H23FN4O5S/c1-14(15-6-10-18(11-7-15)33(30,31)13-21(28)26-32-3)24-22(29)20-12-19(25-27(20)2)16-4-8-17(23)9-5-16/h4-12,14H,13H2,1-3H3,(H,24,29)(H,26,28)/t14-/m1/s1
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| InChIKey |
XKIQODDZLGSGRG-CQSZACIVSA-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