General Information of the Compound
| Compound ID |
CP0577970
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| Compound Name |
N-tert-butyl-4-[3-(2H-tetrazol-5-yl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]phenyl]benzamide
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| Structure |
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| Formula |
C27H23F3N8O
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| Molecular Weight |
532.53
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1nnn[nH]1
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| InChI |
InChI=1S/C27H23F3N8O/c1-26(2,3)31-25(39)18-6-4-16(5-7-18)19-12-20(24-33-35-36-34-24)14-22(13-19)38-15-23(32-37-38)17-8-10-21(11-9-17)27(28,29)30/h4-15H,1-3H3,(H,31,39)(H,33,34,35,36)
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| InChIKey |
OGEFVCVRYSMIMQ-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