General Information of the Compound
| Compound ID |
CP0206108
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| Compound Name |
(+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)benzamido)methyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H25F4N5O5S
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| Molecular Weight |
571.553
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| Canonical SMILES |
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O
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| InChI |
InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34)
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| InChIKey |
ONRDKYMCESZKKF-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