General Information of the Compound
| Compound ID |
CP0551573
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| Compound Name |
3-[4-(2H-tetrazol-5-yl)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C23H14F3N7O2
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| Molecular Weight |
477.406
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| Canonical SMILES |
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)-c1nnn[nH]1
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| InChI |
InChI=1S/C23H14F3N7O2/c24-23(25,26)18-7-5-14(6-8-18)20-12-33(32-27-20)19-10-16(9-17(11-19)22(34)35)13-1-3-15(4-2-13)21-28-30-31-29-21/h1-12H,(H,34,35)(H,28,29,30,31)
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| InChIKey |
KLSZNQQLGIRFGP-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