General Information of the Compound
| Compound ID |
CP0410071
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| Compound Name |
2-(3-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)acetic acid
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| Structure |
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| Formula |
C27H19F6N3O5
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| Molecular Weight |
579.453
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| Canonical SMILES |
OC(=O)CNC(=O)c1cccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C27H19F6N3O5/c28-26(29,30)40-20-8-4-17(5-9-20)22-13-23(18-6-10-21(11-7-18)41-27(31,32)33)36(35-22)15-16-2-1-3-19(12-16)25(39)34-14-24(37)38/h1-13H,14-15H2,(H,34,39)(H,37,38)
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| InChIKey |
OJQZTSVYSBSEHY-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