General Information of the Compound
| Compound ID |
CP0904768
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| Compound Name |
4-((4-methoxy-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 |
C26H20F6N8O3
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| Molecular Weight |
606.487
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| Canonical SMILES |
COc1cc(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/C26H20F6N8O3/c1-39-21-19(11-16(25(27,28)29)12-20(21)42-2)40(24(39)33-17-7-9-18(10-8-17)43-26(30,31)32)13-14-3-5-15(6-4-14)22(41)34-23-35-37-38-36-23/h3-12H,13H2,1-2H3,(H2,34,35,36,37,38,41)/b33-24-
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| InChIKey |
QOCSOYLFZWXWJI-GIBOGKFOSA-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