General Information of the Compound
| Compound ID |
CP0894522
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| Compound Name |
4-((4-ethyl-3-methyl-2-(4-(trifluoromethoxy)phenylimino)-6-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-N-(1H-tetrazol-5-yl)benzamide
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| Formula |
C27H22F6N8O2
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| Molecular Weight |
604.515
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| Canonical SMILES |
CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C27H22F6N8O2/c1-3-16-12-18(26(28,29)30)13-21-22(16)40(2)25(34-19-8-10-20(11-9-19)43-27(31,32)33)41(21)14-15-4-6-17(7-5-15)23(42)35-24-36-38-39-37-24/h4-13H,3,14H2,1-2H3,(H2,35,36,37,38,39,42)/b34-25-
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| InChIKey |
CQYDBHOKXJAPLY-NQUVTRGKSA-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