General Information of the Compound
| Compound ID |
CP0963588
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| Compound Name |
3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-N-(2-hydroxyethyl)benzamide
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| Structure |
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| Formula |
C17H15ClF3NO3
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| Molecular Weight |
373.758
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| Canonical SMILES |
O=C(NCCO)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
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| InChI |
InChI=1S/C17H15ClF3NO3/c18-14-9-13(17(19,20)21)4-5-15(14)25-10-11-2-1-3-12(8-11)16(24)22-6-7-23/h1-5,8-9,23H,6-7,10H2,(H,22,24)
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| InChIKey |
FRUTYQFAINTVPW-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