General Information of the Compound
| Compound ID |
CP0551719
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| Compound Name |
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
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| Structure |
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| Formula |
C20H16F4N4O4
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| Molecular Weight |
452.364
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| Canonical SMILES |
Fc1cc(ccc1C(F)(F)F)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C20H16F4N4O4/c21-14-10-12(2-3-13(14)20(22,23)24)27-5-7-28(8-6-27)18(30)17(29)25-11-1-4-15-16(9-11)32-19(31)26-15/h1-4,9-10H,5-8H2,(H,25,29)(H,26,31)
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| InChIKey |
DHOPUVMTPDUDAN-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