General Information of the Compound
| Compound ID |
CP0480390
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| Compound Name |
5-amino-N-[2-[[ethyl-(4-fluorophenyl)sulfonylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H23F4N5O4S
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| Molecular Weight |
529.516
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| Canonical SMILES |
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H23F4N5O4S/c1-2-30(36(34,35)17-10-8-15(23)9-11-17)14-21(33,22(24,25)26)13-28-20(32)18-12-29-31(19(18)27)16-6-4-3-5-7-16/h3-12,33H,2,13-14,27H2,1H3,(H,28,32)
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| InChIKey |
SXGHVEFWCHWJJS-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