General Information of the Compound
| Compound ID |
CP0666275
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| Compound Name |
4-((2-(4-tert-butylphenylimino)-3-methyl-4-propoxy-6-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-N-(1H-tetrazol-5-yl)benzamide
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| Formula |
C31H33F3N8O2
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| Molecular Weight |
606.653
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| Canonical SMILES |
CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C(C)(C)C)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C31H33F3N8O2/c1-6-15-44-25-17-22(31(32,33)34)16-24-26(25)41(5)29(35-23-13-11-21(12-14-23)30(2,3)4)42(24)18-19-7-9-20(10-8-19)27(43)36-28-37-39-40-38-28/h7-14,16-17H,6,15,18H2,1-5H3,(H2,36,37,38,39,40,43)/b35-29-
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| InChIKey |
LOKUGNIDKBRXJC-MJPNWULPSA-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