General Information of the Compound
| Compound ID |
CP0943695
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| Compound Name |
triethylamine 3-(5-carbamoylfuran-2-yl)-5-(4-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)benzoate
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| Structure |
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| Formula |
C27H28F3N5O4
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| Molecular Weight |
543.546
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| Canonical SMILES |
CCN(CC)CC.NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)o1
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| InChI |
InChI=1S/C21H13F3N4O4.C6H15N/c22-21(23,24)14-3-1-11(2-4-14)16-10-28(27-26-16)15-8-12(7-13(9-15)20(30)31)17-5-6-18(32-17)19(25)29;1-4-7(5-2)6-3/h1-10H,(H2,25,29)(H,30,31);4-6H2,1-3H3
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| InChIKey |
VKFYBZNSPSCXFS-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